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

C13H21ClN4 — CID 82167513

IUPAC1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine
SMILESCCC(N)CN1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C13H21ClN4/c1-2-12(15)10-17-5-7-18(8-6-17)13-4-3-11(14)9-16-13/h3-4,9,12H,2,5-8,10,15H2,1H3
InChIKeyMHVXXUZEFLGDLQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.59
Rot. Bonds4

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

1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine (PubChem CID 82167513) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine
PubChem CID82167513
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine
SMILESCCC(N)CN1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C13H21ClN4/c1-2-12(15)10-17-5-7-18(8-6-17)13-4-3-11(14)9-16-13/h3-4,9,12H,2,5-8,10,15H2,1H3
InChIKeyMHVXXUZEFLGDLQ-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

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Related Compounds

2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 55203317
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butanethioamide
CID 63342498
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 63237417
methyl 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoate
CID 78977347
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanesulfinate
CID 174401192
4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine
CID 77088933
5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole
CID 56820417
1-(5-chloro-2-pyridinyl)-4-[(1-ethylpiperidin-2-yl)methyl]piperazine
CID 45241671
1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-amine
CID 43650423
5-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 66233669
O-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]hydroxylamine
CID 129043755
5-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyridin-2-amine
CID 60870212

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine?
The IUPAC name of 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine (CID 82167513) is 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine.
What is the SMILES notation for 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine?
The canonical SMILES for 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine is CCC(N)CN1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine?
The InChIKey is MHVXXUZEFLGDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-2-12(15)10-17-5-7-18(8-6-17)13-4-3-11(14)9-16-13/h3-4,9,12H,2,5-8,10,15H2,1H3.
What are the key properties of 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine?
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-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 1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine is sourced from PubChem (CID 82167513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).