3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine

C14H24N4 — CID 80544367

IUPAC3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCC(CCN)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H24N4/c1-13(5-6-15)12-17-8-10-18(11-9-17)14-4-2-3-7-16-14/h2-4,7,13H,5-6,8-12,15H2,1H3
InChIKeyICWKHKCVTQSVIH-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.19
Rot. Bonds5

About 3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine

3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine (PubChem CID 80544367) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
PubChem CID80544367
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
SMILESCC(CCN)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H24N4/c1-13(5-6-15)12-17-8-10-18(11-9-17)14-4-2-3-7-16-14/h2-4,7,13H,5-6,8-12,15H2,1H3
InChIKeyICWKHKCVTQSVIH-UHFFFAOYSA-N
XLogP1.19
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-amine
CID 43650423
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
4,4-dimethyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]pentan-1-amine
CID 107473060
6-ethyl-2-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]pyrimidin-4-amine
CID 133460945
2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 71157049
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3863720
N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine
CID 66452314
1-(4-propan-2-ylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2882133

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine (CID 80544367) is 3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine is CC(CCN)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine?
The InChIKey is ICWKHKCVTQSVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-13(5-6-15)12-17-8-10-18(11-9-17)14-4-2-3-7-16-14/h2-4,7,13H,5-6,8-12,15H2,1H3.
What are the key properties of 3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine?
3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 80544367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).