2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine

C13H22N4 — CID 62776997

IUPAC2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine
SMILESCC(C)CN1CCN(c2cc(N)ccn2)CC1
InChIInChI=1S/C13H22N4/c1-11(2)10-16-5-7-17(8-6-16)13-9-12(14)3-4-15-13/h3-4,9,11H,5-8,10H2,1-2H3,(H2,14,15)
InChIKeyNWHIYOLPNQJQMD-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.44
Rot. Bonds3

About 2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine

2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine (PubChem CID 62776997) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine
PubChem CID62776997
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine
SMILESCC(C)CN1CCN(c2cc(N)ccn2)CC1
InChIInChI=1S/C13H22N4/c1-11(2)10-16-5-7-17(8-6-16)13-9-12(14)3-4-15-13/h3-4,9,11H,5-8,10H2,1-2H3,(H2,14,15)
InChIKeyNWHIYOLPNQJQMD-UHFFFAOYSA-N
XLogP1.44
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol
CID 55116637
2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide
CID 55116927
4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
CID 115416914
6-[4-(2-methylpropyl)piperazin-1-yl]pyridin-2-amine
CID 80653536
1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 90916352
3-iodo-4-[4-(2-methylpropyl)piperazin-1-yl]aniline
CID 66095825
N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine
CID 80825091
1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine
CID 115773841
2-(4-cyclopentylpiperazin-1-yl)pyridin-4-amine
CID 62367922
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-benzoxazol-6-amine
CID 79893228
2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine
CID 114543057

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine?
The IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine (CID 62776997) is 2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine.
What is the SMILES notation for 2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine?
The canonical SMILES for 2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine is CC(C)CN1CCN(c2cc(N)ccn2)CC1.
What is the InChIKey of 2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine?
The InChIKey is NWHIYOLPNQJQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(2)10-16-5-7-17(8-6-16)13-9-12(14)3-4-15-13/h3-4,9,11H,5-8,10H2,1-2H3,(H2,14,15).
What are the key properties of 2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine?
2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine is sourced from PubChem (CID 62776997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).