3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine

C14H24N4 — CID 55168058

IUPAC3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(CCc2cccnc2)CC1
InChIInChI=1S/C14H24N4/c15-5-2-7-17-9-11-18(12-10-17)8-4-14-3-1-6-16-13-14/h1,3,6,13H,2,4-5,7-12,15H2
InChIKeyGKPSZXMCFHDJSF-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.59
Rot. Bonds6

About 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine

3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine (PubChem CID 55168058) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
PubChem CID55168058
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(CCc2cccnc2)CC1
InChIInChI=1S/C14H24N4/c15-5-2-7-17-9-11-18(12-10-17)8-4-14-3-1-6-16-13-14/h1,3,6,13H,2,4-5,7-12,15H2
InChIKeyGKPSZXMCFHDJSF-UHFFFAOYSA-N
XLogP0.59
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide
CID 77011852
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline
CID 63262779
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
[4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine
CID 114284152
N-(2-pyridin-3-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961065
1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride
CID 119920848
2-[(2R)-4-(3-pyridin-3-ylpropyl)morpholin-2-yl]ethanamine
CID 124750899
3-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]propan-1-amine
CID 104776533

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine (CID 55168058) is 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine is NCCCN1CCN(CCc2cccnc2)CC1.
What is the InChIKey of 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is GKPSZXMCFHDJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c15-5-2-7-17-9-11-18(12-10-17)8-4-14-3-1-6-16-13-14/h1,3,6,13H,2,4-5,7-12,15H2.
What are the key properties of 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine?
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 55168058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).