1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine

C17H25ClN2 — CID 171280833

IUPAC1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine
SMILESCc1cccc(Cl)c1[C@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C17H25ClN2/c1-13-5-4-8-15(18)16(13)17(14-6-2-3-7-14)20-11-9-19-10-12-20/h4-5,8,14,17,19H,2-3,6-7,9-12H2,1H3/t17-/m0/s1
InChIKeyUVVVWWNRAFHPLX-KRWDZBQOSA-N
MW292.85 g/mol
LogP3.78
Rot. Bonds3

About 1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine

1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine (PubChem CID 171280833) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine
PubChem CID171280833
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine
SMILESCc1cccc(Cl)c1[C@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C17H25ClN2/c1-13-5-4-8-15(18)16(13)17(14-6-2-3-7-14)20-11-9-19-10-12-20/h4-5,8,14,17,19H,2-3,6-7,9-12H2,1H3/t17-/m0/s1
InChIKeyUVVVWWNRAFHPLX-KRWDZBQOSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-(2-chloro-6-methylphenyl)-cyclobutylmethyl]piperazine
CID 171293453
1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine
CID 171277119
1-[(S)-(2-chloro-6-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171163179
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
1-[(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethyl]piperazine
CID 171171851
1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171275812
1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
CID 171277961
1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine
CID 171277386
1-[(S)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171166678
1-[(R)-cyclopentyl-(2,6-difluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171171848
6-amino-2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-3-methylphenol
CID 171298055
1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine
CID 171179290

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine?
The IUPAC name of 1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine (CID 171280833) is 1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine is Cc1cccc(Cl)c1[C@H](C1CCCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine?
The InChIKey is UVVVWWNRAFHPLX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-13-5-4-8-15(18)16(13)17(14-6-2-3-7-14)20-11-9-19-10-12-20/h4-5,8,14,17,19H,2-3,6-7,9-12H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine?
1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine has a molecular weight of 292.85 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine is sourced from PubChem (CID 171280833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).