1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride

C15H24BrCl2N3 — CID 171272910

IUPAC1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride
SMILESBrc1cncc([C@H](C2CCCC2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C15H22BrN3.2ClH/c16-14-9-13(10-18-11-14)15(12-3-1-2-4-12)19-7-5-17-6-8-19;;/h9-12,15,17H,1-8H2;2*1H/t15-;;/m0../s1
InChIKeyIHTFHFZSKODLQG-CKUXDGONSA-N
MW397.19 g/mol
LogP3.82
Rot. Bonds3

About 1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride

1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride (PubChem CID 171272910) has the molecular formula C15H24BrCl2N3 and a molecular weight of 397.19 g/mol. Its IUPAC name is 1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride
PubChem CID171272910
Molecular FormulaC15H24BrCl2N3
Molecular Weight397.19 g/mol
Exact Mass395.05
IUPAC Name1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride
SMILESBrc1cncc([C@H](C2CCCC2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C15H22BrN3.2ClH/c16-14-9-13(10-18-11-14)15(12-3-1-2-4-12)19-7-5-17-6-8-19;;/h9-12,15,17H,1-8H2;2*1H/t15-;;/m0../s1
InChIKeyIHTFHFZSKODLQG-CKUXDGONSA-N
XLogP3.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(3-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine;hydrochloride
CID 171164020
1-[(R)-(3-bromo-5-fluorophenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171289449
1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride
CID 171287672
1-[(S)-cyclopentyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283648
1-[(S)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171283650
1-[(R)-cyclohexyl-(3,4-dibromophenyl)methyl]piperazine;dihydrochloride
CID 171296270
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
1-[(R)-cyclopentyl-(3,5-dimethylphenyl)methyl]piperazine
CID 171288154
1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine
CID 171277386
1-[(1S)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine
CID 171285526
1-[(S)-(5-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171276271

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride (CID 171272910) is 1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride is Brc1cncc([C@H](C2CCCC2)N2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride?
The InChIKey is IHTFHFZSKODLQG-CKUXDGONSA-N. The full InChI is InChI=1S/C15H22BrN3.2ClH/c16-14-9-13(10-18-11-14)15(12-3-1-2-4-12)19-7-5-17-6-8-19;;/h9-12,15,17H,1-8H2;2*1H/t15-;;/m0../s1.
What are the key properties of 1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride?
1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride has a molecular weight of 397.19 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(5-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171272910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).