5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine

C15H23ClN4 — CID 71144951

IUPAC5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine
SMILESNc1cc(Cl)cnc1N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H23ClN4/c16-12-10-14(17)15(18-11-12)20-8-6-19(7-9-20)13-4-2-1-3-5-13/h10-11,13H,1-9,17H2
InChIKeyGDHGBFYKNXXJCZ-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.77
Rot. Bonds2

About 5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine

5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine (PubChem CID 71144951) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine
PubChem CID71144951
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine
SMILESNc1cc(Cl)cnc1N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H23ClN4/c16-12-10-14(17)15(18-11-12)20-8-6-19(7-9-20)13-4-2-1-3-5-13/h10-11,13H,1-9,17H2
InChIKeyGDHGBFYKNXXJCZ-UHFFFAOYSA-N
XLogP2.77
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine?
The IUPAC name of 5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine (CID 71144951) is 5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine?
The canonical SMILES for 5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine is Nc1cc(Cl)cnc1N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine?
The InChIKey is GDHGBFYKNXXJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c16-12-10-14(17)15(18-11-12)20-8-6-19(7-9-20)13-4-2-1-3-5-13/h10-11,13H,1-9,17H2.
What are the key properties of 5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine?
5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine has a molecular weight of 294.83 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-cyclohexylpiperazin-1-yl)pyridin-3-amine is sourced from PubChem (CID 71144951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).