2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethan-1-one dihydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H32FN3O2.2ClH
Molecular Weight	510.471
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethan-1-one dihydrochloride

Structure Search

SMILES

Cl.Cl.OC1(CCN(CC(=O)N2CCN(C\C=C\C3=CC=CC=C3)CC2)CC1)C4=CC=C(F)C=C4

InChI

InChIKey=PCXLSPKTVOBOFQ-RDRKJGRWSA-N

InChI=1S/C26H32FN3O2.2ClH/c27-24-10-8-23(9-11-24)26(32)12-15-29(16-13-26)21-25(31)30-19-17-28(18-20-30)14-4-7-22-5-2-1-3-6-22;;/h1-11,32H,12-21H2;2*1H/b7-4+;;

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C26H32FN3O2
Molecular Weight	437.5496
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:19:22 GMT 2023` Edited by `admin` on `Sat Dec 16 19:19:22 GMT 2023`
Record UNII	D972BP87AK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethan-1-one dihydrochloride

Systematic Name

English

Piperazine, 1-[[4-(4-fluorophenyl)-4-hydroxy-1-piperidinyl]acetyl]-4-(3-phenyl-2-propenyl)-, dihydrochloride

Systematic Name

English

Piperazine, 1-[[4-(4-fluorophenyl)-4-hydroxy-1-piperidinyl]acetyl]-4-(3-phenyl-2-propenyl)-, dihydrochloride, (E)-

Systematic Name

English

Ethanone, 2-[4-(4-fluorophenyl)-4-hydroxy-1-piperidinyl]-1-[4-(3-phenyl-2-propen-1-yl)-1-piperazinyl]-, hydrochloride (1:2)

Systematic Name

English

Code System Code Type Description

FDA UNII

D972BP87AK

Created by admin on Sat Dec 16 19:19:22 GMT 2023 , Edited by admin on Sat Dec 16 19:19:22 GMT 2023

PRIMARY

CAS

93551-77-0

Created by admin on Sat Dec 16 19:19:22 GMT 2023 , Edited by admin on Sat Dec 16 19:19:22 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

CAS

82387-62-0

Created by admin on Sat Dec 16 19:19:22 GMT 2023 , Edited by admin on Sat Dec 16 19:19:22 GMT 2023

PRIMARY

PUBCHEM

166177247

Created by admin on Sat Dec 16 19:19:22 GMT 2023 , Edited by admin on Sat Dec 16 19:19:22 GMT 2023

PRIMARY

Related Record Type Details


					8KB63HL4EW

2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}ethan-1-one

PARENT -> SALT/SOLVATE

Amount: