N-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine

C17H22N4 — CID 104531998

IUPACN-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine
SMILESCNc1cncc(N2CCN(C)CC2c2ccccc2)c1
InChIInChI=1S/C17H22N4/c1-18-15-10-16(12-19-11-15)21-9-8-20(2)13-17(21)14-6-4-3-5-7-14/h3-7,10-12,17-18H,8-9,13H2,1-2H3
InChIKeyOWCSGOCZKAPJOG-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.62
Rot. Bonds3

About N-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine

N-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine (PubChem CID 104531998) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine
PubChem CID104531998
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine
SMILESCNc1cncc(N2CCN(C)CC2c2ccccc2)c1
InChIInChI=1S/C17H22N4/c1-18-15-10-16(12-19-11-15)21-9-8-20(2)13-17(21)14-6-4-3-5-7-14/h3-7,10-12,17-18H,8-9,13H2,1-2H3
InChIKeyOWCSGOCZKAPJOG-UHFFFAOYSA-N
XLogP2.62
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(chloromethyl)-4-pyridinyl]-4-methyl-2-phenylpiperazine
CID 61257188
2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine
CID 66466632
1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43823529
N-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine
CID 104533834
1-[4-(chloromethyl)-3-pyridinyl]-4-methyl-2-phenylpiperazine
CID 105067246
1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine
CID 79639316
1-methyl-3-(4-methyl-2-phenylpiperazin-1-yl)pyrazol-4-amine
CID 103077821
6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64589848
6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine
CID 81134069
4-bromo-2-(4-methyl-2-phenylpiperazin-1-yl)aniline
CID 65341789
2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-benzoxazole
CID 141201489

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine?
The IUPAC name of N-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine (CID 104531998) is N-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine.
What is the SMILES notation for N-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine?
The canonical SMILES for N-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine is CNc1cncc(N2CCN(C)CC2c2ccccc2)c1.
What is the InChIKey of N-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine?
The InChIKey is OWCSGOCZKAPJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-18-15-10-16(12-19-11-15)21-9-8-20(2)13-17(21)14-6-4-3-5-7-14/h3-7,10-12,17-18H,8-9,13H2,1-2H3.
What are the key properties of N-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine?
N-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine has a molecular weight of 282.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine is sourced from PubChem (CID 104531998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).