1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride

C14H22BrCl2N3 — CID 171276415

IUPAC1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
SMILESBrc1cccc([C@H](C2CCC2)N2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C14H20BrN3.2ClH/c15-13-6-2-5-12(17-13)14(11-3-1-4-11)18-9-7-16-8-10-18;;/h2,5-6,11,14,16H,1,3-4,7-10H2;2*1H/t14-;;/m0../s1
InChIKeyASRRPNAXUIQNQW-UTLKBRERSA-N
MW383.16 g/mol
LogP3.43
Rot. Bonds3

About 1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride

1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride (PubChem CID 171276415) has the molecular formula C14H22BrCl2N3 and a molecular weight of 383.16 g/mol. Its IUPAC name is 1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
PubChem CID171276415
Molecular FormulaC14H22BrCl2N3
Molecular Weight383.16 g/mol
Exact Mass381.04
IUPAC Name1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
SMILESBrc1cccc([C@H](C2CCC2)N2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C14H20BrN3.2ClH/c15-13-6-2-5-12(17-13)14(11-3-1-4-11)18-9-7-16-8-10-18;;/h2,5-6,11,14,16H,1,3-4,7-10H2;2*1H/t14-;;/m0../s1
InChIKeyASRRPNAXUIQNQW-UTLKBRERSA-N
XLogP3.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.16
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(S)-cyclopentyl-(6-methyl-2-pyridinyl)methyl]piperazine
CID 171280796
1-[(S)-(5-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride
CID 171276271
1-[(1S)-1-(6-bromo-2-pyridinyl)-2-cyclopropylethyl]piperazine
CID 171276428
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171297216
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284597
1-[(1R)-1-(6-bromo-2-pyridinyl)propyl]piperazine;dihydrochloride
CID 171289028
1-[(1S)-1-(6-bromo-2-pyridinyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171289031
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284591
1-[(S)-(6-methyl-2-pyridinyl)-(oxan-4-yl)methyl]piperazine
CID 171280802
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
1-[(1R)-1-(6-bromo-2-pyridinyl)butyl]piperazine;dihydrochloride
CID 171289052
1-[(S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171289046

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride (CID 171276415) is 1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride is Brc1cccc([C@H](C2CCC2)N2CCNCC2)n1.Cl.Cl.
What is the InChIKey of 1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride?
The InChIKey is ASRRPNAXUIQNQW-UTLKBRERSA-N. The full InChI is InChI=1S/C14H20BrN3.2ClH/c15-13-6-2-5-12(17-13)14(11-3-1-4-11)18-9-7-16-8-10-18;;/h2,5-6,11,14,16H,1,3-4,7-10H2;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride?
1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride has a molecular weight of 383.16 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(6-bromo-2-pyridinyl)-cyclobutylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171276415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).