[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone

C19H27ClN2O — CID 113074560

IUPAC[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H27ClN2O/c20-18-8-6-16(7-9-18)10-11-21-12-14-22(15-13-21)19(23)17-4-2-1-3-5-17/h6-9,17H,1-5,10-15H2
InChIKeyYNUXTDNPKUIQIQ-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.61
Rot. Bonds4

About [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone

[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone (PubChem CID 113074560) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone
PubChem CID113074560
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H27ClN2O/c20-18-8-6-16(7-9-18)10-11-21-12-14-22(15-13-21)19(23)17-4-2-1-3-5-17/h6-9,17H,1-5,10-15H2
InChIKeyYNUXTDNPKUIQIQ-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide
CID 108556562
1-[2-(4-chlorophenyl)ethyl]pyrrolidine
CID 22364204
[4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone
CID 36882205
1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113074562
2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967
[(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 95601653
azepan-1-yl-[1-[2-(4-nitrophenyl)ethyl]piperidin-4-yl]methanone
CID 55828744
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dichlorophenyl)methanone;hydrochloride
CID 21275301
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469
4-chloro-N-[4-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 86944721

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone (CID 113074560) is [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone?
The InChIKey is YNUXTDNPKUIQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c20-18-8-6-16(7-9-18)10-11-21-12-14-22(15-13-21)19(23)17-4-2-1-3-5-17/h6-9,17H,1-5,10-15H2.
What are the key properties of [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone?
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone has a molecular weight of 334.89 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 113074560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).