1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine

C16H24ClN3 — CID 171273137

IUPAC1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine
SMILESClc1ncccc1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C16H24ClN3/c17-16-14(7-4-8-19-16)15(13-5-2-1-3-6-13)20-11-9-18-10-12-20/h4,7-8,13,15,18H,1-3,5-6,9-12H2/t15-/m0/s1
InChIKeyKOFMCIBIZJKHFS-HNNXBMFYSA-N
MW293.84 g/mol
LogP3.26
Rot. Bonds3

About 1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine

1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine (PubChem CID 171273137) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine
PubChem CID171273137
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine
SMILESClc1ncccc1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C16H24ClN3/c17-16-14(7-4-8-19-16)15(13-5-2-1-3-6-13)20-11-9-18-10-12-20/h4,7-8,13,15,18H,1-3,5-6,9-12H2/t15-/m0/s1
InChIKeyKOFMCIBIZJKHFS-HNNXBMFYSA-N
XLogP3.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine
CID 171285765
1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine
CID 171289113
1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171273012
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
1-[(R)-(2-tert-butylsulfanylphenyl)-cyclohexylmethyl]piperazine
CID 171295895
3-[(R)-cyclobutyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171287317
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
2-bromo-6-[(S)-cyclohexyl(piperazin-1-yl)methyl]phenol
CID 171275973
1-[(S)-cyclohexyl-(2,3-dimethylphenyl)methyl]piperazine;dihydrochloride
CID 171275812
1-[(S)-(2-chloro-5-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164473
1-[(S)-(2-chloro-5-nitrophenyl)-cyclohexylmethyl]piperazine
CID 171278647

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine?
The IUPAC name of 1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine (CID 171273137) is 1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine is Clc1ncccc1[C@H](C1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine?
The InChIKey is KOFMCIBIZJKHFS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24ClN3/c17-16-14(7-4-8-19-16)15(13-5-2-1-3-6-13)20-11-9-18-10-12-20/h4,7-8,13,15,18H,1-3,5-6,9-12H2/t15-/m0/s1.
What are the key properties of 1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine?
1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine has a molecular weight of 293.84 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine is sourced from PubChem (CID 171273137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).