6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine

C15H17ClN4 — CID 9161657

IUPAC6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C15H17ClN4/c16-12-1-4-14(5-2-12)19-7-9-20(10-8-19)15-6-3-13(17)11-18-15/h1-6,11H,7-10,17H2
InChIKeyKBPOLGRHXBRBQG-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.64
Rot. Bonds2

About 6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine

6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 9161657) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
PubChem CID9161657
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C15H17ClN4/c16-12-1-4-14(5-2-12)19-7-9-20(10-8-19)15-6-3-13(17)11-18-15/h1-6,11H,7-10,17H2
InChIKeyKBPOLGRHXBRBQG-UHFFFAOYSA-N
XLogP2.64
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine (CID 9161657) is 6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine is Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of 6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is KBPOLGRHXBRBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-12-1-4-14(5-2-12)19-7-9-20(10-8-19)15-6-3-13(17)11-18-15/h1-6,11H,7-10,17H2.
What are the key properties of 6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine?
6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 288.78 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 9161657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).