1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine

C17H26N2 — CID 171280314

IUPAC1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1[C@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C17H26N2/c1-14-6-2-5-9-16(14)17(15-7-3-4-8-15)19-12-10-18-11-13-19/h2,5-6,9,15,17-18H,3-4,7-8,10-13H2,1H3/t17-/m0/s1
InChIKeyXAQNWKXWKBONKM-KRWDZBQOSA-N
MW258.41 g/mol
LogP3.13
Rot. Bonds3

About 1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine

1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine (PubChem CID 171280314) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
PubChem CID171280314
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1[C@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C17H26N2/c1-14-6-2-5-9-16(14)17(15-7-3-4-8-15)19-12-10-18-11-13-19/h2,5-6,9,15,17-18H,3-4,7-8,10-13H2,1H3/t17-/m0/s1
InChIKeyXAQNWKXWKBONKM-KRWDZBQOSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171275812
1-[(R)-cyclopentyl-(2,4-dimethylphenyl)methyl]piperazine
CID 95475271
1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine
CID 171277119
1-[(S)-cyclopentyl-(2,5-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171283985
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190
1-[(S)-cyclobutyl-(2,5-dimethylphenyl)methyl]piperazine
CID 95465787
1-[(R)-(4-chloro-2-methylphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171294012
1-[(S)-cyclobutyl-[2-(difluoromethoxy)phenyl]methyl]piperazine
CID 171180855
1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine
CID 171273356
1-[(R)-(2-tert-butylsulfanylphenyl)-cyclohexylmethyl]piperazine
CID 171295895
1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine
CID 171280833
1-[(S)-cyclohexyl-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171166606

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine (CID 171280314) is 1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine is Cc1ccccc1[C@H](C1CCCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine?
The InChIKey is XAQNWKXWKBONKM-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-6-2-5-9-16(14)17(15-7-3-4-8-15)19-12-10-18-11-13-19/h2,5-6,9,15,17-18H,3-4,7-8,10-13H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine?
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine has a molecular weight of 258.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 171280314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).