N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine

C13H22N4 — CID 44546971

IUPACN-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine
SMILESCC(C)CNc1cc(N2CCNCC2)ccn1
InChIInChI=1S/C13H22N4/c1-11(2)10-16-13-9-12(3-4-15-13)17-7-5-14-6-8-17/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,15,16)
InChIKeyOWYJWFDOOKMLSF-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.56
Rot. Bonds4

About N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine

N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine (PubChem CID 44546971) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine
PubChem CID44546971
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine
SMILESCC(C)CNc1cc(N2CCNCC2)ccn1
InChIInChI=1S/C13H22N4/c1-11(2)10-16-13-9-12(3-4-15-13)17-7-5-14-6-8-17/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,15,16)
InChIKeyOWYJWFDOOKMLSF-UHFFFAOYSA-N
XLogP1.56
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine?
The IUPAC name of N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine (CID 44546971) is N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine?
The canonical SMILES for N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine is CC(C)CNc1cc(N2CCNCC2)ccn1.
What is the InChIKey of N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine?
The InChIKey is OWYJWFDOOKMLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(2)10-16-13-9-12(3-4-15-13)17-7-5-14-6-8-17/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine?
N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-piperazin-1-ylpyridin-2-amine is sourced from PubChem (CID 44546971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).