3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline

C16H20N4 — CID 115980573

IUPAC3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline
SMILESCc1cc(N)cc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C16H20N4/c1-13-10-14(17)12-15(11-13)19-6-8-20(9-7-19)16-4-2-3-5-18-16/h2-5,10-12H,6-9,17H2,1H3
InChIKeyIFGUREVDDNEQFO-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.30
Rot. Bonds2

About 3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline

3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline (PubChem CID 115980573) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline.

Molecular Properties

Compound Name3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline
PubChem CID115980573
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline
SMILESCc1cc(N)cc(N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C16H20N4/c1-13-10-14(17)12-15(11-13)19-6-8-20(9-7-19)16-4-2-3-5-18-16/h2-5,10-12H,6-9,17H2,1H3
InChIKeyIFGUREVDDNEQFO-UHFFFAOYSA-N
XLogP2.30
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-4-pyridin-2-yl-1,4-diazepane
CID 142175555
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline
CID 63671263
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 78910390
1-(4-methylsulfanylphenyl)-4-pyridin-2-ylpiperazine
CID 171622110
2,5-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757583
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
4-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103362422
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
methyl 2-amino-5-(4-pyridin-2-ylpiperazin-1-yl)benzoate
CID 146347076

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline?
The IUPAC name of 3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline (CID 115980573) is 3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline.
What is the SMILES notation for 3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline?
The canonical SMILES for 3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline is Cc1cc(N)cc(N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline?
The InChIKey is IFGUREVDDNEQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-13-10-14(17)12-15(11-13)19-6-8-20(9-7-19)16-4-2-3-5-18-16/h2-5,10-12H,6-9,17H2,1H3.
What are the key properties of 3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline?
3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline has a molecular weight of 268.36 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)aniline is sourced from PubChem (CID 115980573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).