3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine

C16H20N4 — CID 72877578

IUPAC3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCc1cc(-c2cccc(N3CCNCC3)c2)cnc1N
InChIInChI=1S/C16H20N4/c1-12-9-14(11-19-16(12)17)13-3-2-4-15(10-13)20-7-5-18-6-8-20/h2-4,9-11,18H,5-8H2,1H3,(H2,17,19)
InChIKeyIWBLLCIEABDQHV-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.05
Rot. Bonds2

About 3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine

3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 72877578) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine
PubChem CID72877578
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCc1cc(-c2cccc(N3CCNCC3)c2)cnc1N
InChIInChI=1S/C16H20N4/c1-12-9-14(11-19-16(12)17)13-3-2-4-15(10-13)20-7-5-18-6-8-20/h2-4,9-11,18H,5-8H2,1H3,(H2,17,19)
InChIKeyIWBLLCIEABDQHV-UHFFFAOYSA-N
XLogP2.05
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride
CID 154914779
1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997
3-methyl-5-(3-methylphenyl)pyridin-2-amine
CID 80505501
1-(3-pyridin-3-ylphenyl)piperazine
CID 150431219
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]piperazine
CID 31074314
N-[5-[2-amino-5-(3-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 146306964
2-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-4-[3-methyl-5-(3-piperazin-1-ylphenyl)-2-pyridinyl]-1,2,4-triazol-3-one;bis(2,2,2-trifluoroacetic acid)
CID 154928571
5-(3,4-dimethylphenyl)-3-methylpyridin-2-amine
CID 83170241
1-(3-ethoxyphenyl)piperazine
CID 14519634
1-[3-(4-methylimidazol-1-yl)phenyl]piperazine
CID 82513454
1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole
CID 59568337

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine (CID 72877578) is 3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine is Cc1cc(-c2cccc(N3CCNCC3)c2)cnc1N.
What is the InChIKey of 3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is IWBLLCIEABDQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-9-14(11-19-16(12)17)13-3-2-4-15(10-13)20-7-5-18-6-8-20/h2-4,9-11,18H,5-8H2,1H3,(H2,17,19).
What are the key properties of 3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine?
3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 72877578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).