1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine

C16H25N3 — CID 171280796

IUPAC1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccc([C@H](C2CCCC2)N2CCNCC2)n1
InChIInChI=1S/C16H25N3/c1-13-5-4-8-15(18-13)16(14-6-2-3-7-14)19-11-9-17-10-12-19/h4-5,8,14,16-17H,2-3,6-7,9-12H2,1H3/t16-/m0/s1
InChIKeyOSMCEMDWYBTGBW-INIZCTEOSA-N
MW259.40 g/mol
LogP2.53
Rot. Bonds3

About 1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine

1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 171280796) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine
PubChem CID171280796
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccc([C@H](C2CCCC2)N2CCNCC2)n1
InChIInChI=1S/C16H25N3/c1-13-5-4-8-15(18-13)16(14-6-2-3-7-14)19-11-9-17-10-12-19/h4-5,8,14,16-17H,2-3,6-7,9-12H2,1H3/t16-/m0/s1
InChIKeyOSMCEMDWYBTGBW-INIZCTEOSA-N
XLogP2.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine
CID 171280802
1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171276415
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171297216
1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine
CID 171277119
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284597
1-[(1R)-1-(6-methyl-2-pyridinyl)propyl]piperazine
CID 131360307
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine
CID 131534531
1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171275812
1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine
CID 171280833
1-[(S)-cyclobutyl-(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171280342
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284591

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine (CID 171280796) is 1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine is Cc1cccc([C@H](C2CCCC2)N2CCNCC2)n1.
What is the InChIKey of 1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is OSMCEMDWYBTGBW-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25N3/c1-13-5-4-8-15(18-13)16(14-6-2-3-7-14)19-11-9-17-10-12-19/h4-5,8,14,16-17H,2-3,6-7,9-12H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine?
1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 259.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 171280796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).