6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine

C17H22N4 — CID 81134069

IUPAC6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine
SMILESCc1ccc(N)c(N2CCN(C)CC2c2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-13-8-9-15(18)17(19-13)21-11-10-20(2)12-16(21)14-6-4-3-5-7-14/h3-9,16H,10-12,18H2,1-2H3
InChIKeyNLSQKXKJMWMBNO-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.47
Rot. Bonds2

About 6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine

6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine (PubChem CID 81134069) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine
PubChem CID81134069
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine
SMILESCc1ccc(N)c(N2CCN(C)CC2c2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-13-8-9-15(18)17(19-13)21-11-10-20(2)12-16(21)14-6-4-3-5-7-14/h3-9,16H,10-12,18H2,1-2H3
InChIKeyNLSQKXKJMWMBNO-UHFFFAOYSA-N
XLogP2.47
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine?
The IUPAC name of 6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine (CID 81134069) is 6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine.
What is the SMILES notation for 6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine?
The canonical SMILES for 6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine is Cc1ccc(N)c(N2CCN(C)CC2c2ccccc2)n1.
What is the InChIKey of 6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine?
The InChIKey is NLSQKXKJMWMBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-8-9-15(18)17(19-13)21-11-10-20(2)12-16(21)14-6-4-3-5-7-14/h3-9,16H,10-12,18H2,1-2H3.
What are the key properties of 6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine?
6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine has a molecular weight of 282.39 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine is sourced from PubChem (CID 81134069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).