3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine

C13H22N4 — CID 82107783

IUPAC3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine
SMILESCN1CCN(CC(CN)c2ccncc2)CC1
InChIInChI=1S/C13H22N4/c1-16-6-8-17(9-7-16)11-13(10-14)12-2-4-15-5-3-12/h2-5,13H,6-11,14H2,1H3
InChIKeyNUWGMGLAZDJAHP-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.37
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine

3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine (PubChem CID 82107783) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine
PubChem CID82107783
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine
SMILESCN1CCN(CC(CN)c2ccncc2)CC1
InChIInChI=1S/C13H22N4/c1-16-6-8-17(9-7-16)11-13(10-14)12-2-4-15-5-3-12/h2-5,13H,6-11,14H2,1H3
InChIKeyNUWGMGLAZDJAHP-UHFFFAOYSA-N
XLogP0.37
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine
CID 93102230
3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine
CID 117246513
2-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 82095191
3-(4-methylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 82107835
2-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 82083200
3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol
CID 117246514
1-(3-amino-2-phenylpropyl)-N,N-dimethylpiperidin-4-amine
CID 43585763
N',N'-diethyl-2-pyridin-4-ylpropane-1,3-diamine
CID 82107787
3-(4-cyclopentylpiperazin-1-yl)-2-phenylpropan-1-amine
CID 62368084
1,3,5-tripyridin-4-ylhexane-1,6-diamine
CID 123648910
2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine
CID 174413644
2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
CID 116946629

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine (CID 82107783) is 3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine is CN1CCN(CC(CN)c2ccncc2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine?
The InChIKey is NUWGMGLAZDJAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16-6-8-17(9-7-16)11-13(10-14)12-2-4-15-5-3-12/h2-5,13H,6-11,14H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine?
3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 82107783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).