N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine

C16H20N4 — CID 122624208

IUPACN-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine
SMILESCc1ccc(Nc2cccc(N3CCNCC3)n2)cc1
InChIInChI=1S/C16H20N4/c1-13-5-7-14(8-6-13)18-15-3-2-4-16(19-15)20-11-9-17-10-12-20/h2-8,17H,9-12H2,1H3,(H,18,19)
InChIKeyOWAWFPQEKRMZDQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.54
Rot. Bonds3

About N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine

N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine (PubChem CID 122624208) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine
PubChem CID122624208
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine
SMILESCc1ccc(Nc2cccc(N3CCNCC3)n2)cc1
InChIInChI=1S/C16H20N4/c1-13-5-7-14(8-6-13)18-15-3-2-4-16(19-15)20-11-9-17-10-12-20/h2-8,17H,9-12H2,1H3,(H,18,19)
InChIKeyOWAWFPQEKRMZDQ-UHFFFAOYSA-N
XLogP2.54
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine?
The IUPAC name of N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine (CID 122624208) is N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine?
The canonical SMILES for N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine is Cc1ccc(Nc2cccc(N3CCNCC3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine?
The InChIKey is OWAWFPQEKRMZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-13-5-7-14(8-6-13)18-15-3-2-4-16(19-15)20-11-9-17-10-12-20/h2-8,17H,9-12H2,1H3,(H,18,19).
What are the key properties of N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine?
N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-piperazin-1-ylpyridin-2-amine is sourced from PubChem (CID 122624208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).