1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride

C15H25Cl2N3 — CID 171287672

IUPAC1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1cncc([C@@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C15H23N3.2ClH/c1-2-5-13(4-1)15(14-6-3-7-17-12-14)18-10-8-16-9-11-18;;/h3,6-7,12-13,15-16H,1-2,4-5,8-11H2;2*1H/t15-;;/m1../s1
InChIKeyPMGVTEPPIXXMNJ-QCUBGVIVSA-N
MW318.29 g/mol
LogP3.06
Rot. Bonds3

About 1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride

1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride (PubChem CID 171287672) has the molecular formula C15H25Cl2N3 and a molecular weight of 318.29 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride
PubChem CID171287672
Molecular FormulaC15H25Cl2N3
Molecular Weight318.29 g/mol
Exact Mass317.14
IUPAC Name1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1cncc([C@@H](C2CCCC2)N2CCNCC2)c1
InChIInChI=1S/C15H23N3.2ClH/c1-2-5-13(4-1)15(14-6-3-7-17-12-14)18-10-8-16-9-11-18;;/h3,6-7,12-13,15-16H,1-2,4-5,8-11H2;2*1H/t15-;;/m1../s1
InChIKeyPMGVTEPPIXXMNJ-QCUBGVIVSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171272910
1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride
CID 171275053
1-[(S)-cyclopentyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171165047
1-[(1S)-2,2-difluoro-1-pyridin-3-ylethyl]piperazine;dihydrochloride
CID 171287666
1-[(1R)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine
CID 171287680
1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171273012
1-[(S)-cyclohexyl-(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 171163455
1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286720
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171285185
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride (CID 171287672) is 1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride is Cl.Cl.c1cncc([C@@H](C2CCCC2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride?
The InChIKey is PMGVTEPPIXXMNJ-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H23N3.2ClH/c1-2-5-13(4-1)15(14-6-3-7-17-12-14)18-10-8-16-9-11-18;;/h3,6-7,12-13,15-16H,1-2,4-5,8-11H2;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride?
1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride has a molecular weight of 318.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).