1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine

C15H22BrN3 — CID 171289113

IUPAC1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine
SMILESBrc1ncccc1[C@@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C15H22BrN3/c16-15-13(6-3-7-18-15)14(12-4-1-2-5-12)19-10-8-17-9-11-19/h3,6-7,12,14,17H,1-2,4-5,8-11H2/t14-/m1/s1
InChIKeyFZHLHPMRGTWOOA-CQSZACIVSA-N
MW324.27 g/mol
LogP2.98
Rot. Bonds3

About 1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine

1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine (PubChem CID 171289113) has the molecular formula C15H22BrN3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine
PubChem CID171289113
Molecular FormulaC15H22BrN3
Molecular Weight324.27 g/mol
Exact Mass323.10
IUPAC Name1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine
SMILESBrc1ncccc1[C@@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C15H22BrN3/c16-15-13(6-3-7-18-15)14(12-4-1-2-5-12)19-10-8-17-9-11-19/h3,6-7,12,14,17H,1-2,4-5,8-11H2/t14-/m1/s1
InChIKeyFZHLHPMRGTWOOA-CQSZACIVSA-N
XLogP2.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.98
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-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine
CID 171273137
2-bromo-6-[(S)-cyclohexyl(piperazin-1-yl)methyl]phenol
CID 171275973
1-[(1R)-1-(2-bromo-3-pyridinyl)ethyl]piperazine;dihydrochloride
CID 171289099
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314
1-[(R)-(3-bromo-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171289324
1-[(1S)-1-(2-bromo-3-pyridinyl)prop-2-enyl]piperazine
CID 131527981
1-[(1S)-1-(2-bromo-3-pyridinyl)-2,2,2-trifluoroethyl]piperazine
CID 171289102
1-[(1S)-1-(2-bromo-3-pyridinyl)-2,2-dimethylpropyl]piperazine
CID 171276504
1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride
CID 171287672
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190
3-[(R)-cyclobutyl(piperazin-1-yl)methyl]benzene-1,2-diol
CID 171287317

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine?
The IUPAC name of 1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine (CID 171289113) is 1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine is Brc1ncccc1[C@@H](C1CCCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine?
The InChIKey is FZHLHPMRGTWOOA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22BrN3/c16-15-13(6-3-7-18-15)14(12-4-1-2-5-12)19-10-8-17-9-11-19/h3,6-7,12,14,17H,1-2,4-5,8-11H2/t14-/m1/s1.
What are the key properties of 1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine?
1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine has a molecular weight of 324.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-bromo-3-pyridinyl)-cyclopentylmethyl]piperazine is sourced from PubChem (CID 171289113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).