2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine

C13H22N4 — CID 116946629

IUPAC2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
SMILESCC(CN1CCNCC1)C(N)c1ccncc1
InChIInChI=1S/C13H22N4/c1-11(10-17-8-6-16-7-9-17)13(14)12-2-4-15-5-3-12/h2-5,11,13,16H,6-10,14H2,1H3
InChIKeyDUCSPOAHHPINFA-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.62
Rot. Bonds4

About 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine

2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine (PubChem CID 116946629) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
PubChem CID116946629
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
SMILESCC(CN1CCNCC1)C(N)c1ccncc1
InChIInChI=1S/C13H22N4/c1-11(10-17-8-6-16-7-9-17)13(14)12-2-4-15-5-3-12/h2-5,11,13,16H,6-10,14H2,1H3
InChIKeyDUCSPOAHHPINFA-UHFFFAOYSA-N
XLogP0.62
TPSA54.18 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 ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine
CID 117246513
1-(2-phenyl-2-pyridin-4-ylethyl)piperazine
CID 70241433
3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol
CID 117246514
2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine
CID 116946622
(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
CID 171200287
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
1-[(2R)-2-pyridin-3-ylpropyl]piperazine
CID 67593511
2-methyl-3-piperazin-1-yl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 115255406
1-[2-(4-propan-2-ylphenyl)propyl]piperazine
CID 82295556
2-methyl-1-piperazin-1-ylhexan-3-amine
CID 116946597
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-1-phenylpropan-1-amine
CID 63159871
3-(1,3-dihydroisoindol-2-yl)-2-methyl-1-phenylpropan-1-amine
CID 62619441

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine (CID 116946629) is 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine is CC(CN1CCNCC1)C(N)c1ccncc1.
What is the InChIKey of 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine?
The InChIKey is DUCSPOAHHPINFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11(10-17-8-6-16-7-9-17)13(14)12-2-4-15-5-3-12/h2-5,11,13,16H,6-10,14H2,1H3.
What are the key properties of 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine?
2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine has a molecular weight of 234.35 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 116946629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).