6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine

C15H16Cl2N4 — CID 115473660

IUPAC6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1ccc(Cl)nc1N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H16Cl2N4/c16-11-1-3-12(4-2-11)20-7-9-21(10-8-20)15-13(18)5-6-14(17)19-15/h1-6H,7-10,18H2
InChIKeyKXYZZTGJLYFTMB-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.30
Rot. Bonds2

About 6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine

6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 115473660) has the molecular formula C15H16Cl2N4 and a molecular weight of 323.23 g/mol. Its IUPAC name is 6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
PubChem CID115473660
Molecular FormulaC15H16Cl2N4
Molecular Weight323.23 g/mol
Exact Mass322.08
IUPAC Name6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1ccc(Cl)nc1N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H16Cl2N4/c16-11-1-3-12(4-2-11)20-7-9-21(10-8-20)15-13(18)5-6-14(17)19-15/h1-6H,7-10,18H2
InChIKeyKXYZZTGJLYFTMB-UHFFFAOYSA-N
XLogP3.30
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
CID 43318153
5-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-2-amine
CID 43318150
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylaniline
CID 43436332
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine
CID 115473666
2-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 47439803
4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 80754256
6-chloro-3-fluoro-2-piperidin-1-ylpyridine
CID 123272498
5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 79076229
4-[4-(4-chlorophenyl)piperazin-1-yl]-5-fluorobenzene-1,2-diamine
CID 11267189
5-amino-3-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrazole-4-carbonitrile
CID 10425046
6-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine
CID 9161657
5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3,4-oxadiazol-2-amine
CID 103436524

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine (CID 115473660) is 6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine is Nc1ccc(Cl)nc1N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is KXYZZTGJLYFTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4/c16-11-1-3-12(4-2-11)20-7-9-21(10-8-20)15-13(18)5-6-14(17)19-15/h1-6H,7-10,18H2.
What are the key properties of 6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine?
6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 323.23 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(4-chlorophenyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 115473660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).