[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride

C16H22Cl2N2O — CID 119401297

IUPAC[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(N1CCNCC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C16H21ClN2O.ClH/c17-14-5-3-13(4-6-14)16(7-1-2-8-16)15(20)19-11-9-18-10-12-19;/h3-6,18H,1-2,7-12H2;1H
InChIKeyXFANCUOZRKRZHZ-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.01
Rot. Bonds2

About [1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride

[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119401297) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID119401297
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(N1CCNCC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C16H21ClN2O.ClH/c17-14-5-3-13(4-6-14)16(7-1-2-8-16)15(20)19-11-9-18-10-12-19;/h3-6,18H,1-2,7-12H2;1H
InChIKeyXFANCUOZRKRZHZ-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclopentyl]methanone;hydrochloride
CID 120655672
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 120657064
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
1-(4-chlorophenyl)cyclobutane-1-carboxylic acid;[1-(4-chlorophenyl)cyclobutyl]-(4-hydroxypiperidin-1-yl)methanone;piperidin-4-ol
CID 161247840
[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55642127
[1-(4-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997387
[1-(4-aminophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone
CID 112558251
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride (CID 119401297) is [1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride is Cl.O=C(N1CCNCC1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is XFANCUOZRKRZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O.ClH/c17-14-5-3-13(4-6-14)16(7-1-2-8-16)15(20)19-11-9-18-10-12-19;/h3-6,18H,1-2,7-12H2;1H.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride?
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 329.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119401297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).