2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine

C13H21ClN4 — CID 55203317

IUPAC2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine
SMILESCCC(CN)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C13H21ClN4/c1-2-12(9-15)17-5-7-18(8-6-17)13-4-3-11(14)10-16-13/h3-4,10,12H,2,5-9,15H2,1H3
InChIKeyYEKCJYNSLFUYLE-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.59
Rot. Bonds4

About 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine

2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine (PubChem CID 55203317) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine
PubChem CID55203317
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine
SMILESCCC(CN)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C13H21ClN4/c1-2-12(9-15)17-5-7-18(8-6-17)13-4-3-11(14)10-16-13/h3-4,10,12H,2,5-9,15H2,1H3
InChIKeyYEKCJYNSLFUYLE-UHFFFAOYSA-N
XLogP1.59
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine 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

2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butanethioamide
CID 63342498
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine
CID 82167513
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 63339651
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoic acid
CID 94781788
2-[4-(6-ethoxy-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 63591436
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 114868977
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
CID 95587281
1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine
CID 15951315
5-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 66233669
5-chloro-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 172881511
5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine
CID 60870212
(2S)-2-amino-1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119848044

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine (CID 55203317) is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine is CCC(CN)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine?
The InChIKey is YEKCJYNSLFUYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-2-12(9-15)17-5-7-18(8-6-17)13-4-3-11(14)10-16-13/h3-4,10,12H,2,5-9,15H2,1H3.
What are the key properties of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine?
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine has a molecular weight of 268.79 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 55203317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).