3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine

C15H25N3 — CID 43203794

IUPAC3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine
SMILESCC(NCCCN1CCCCC1)c1ccccn1
InChIInChI=1S/C15H25N3/c1-14(15-8-3-4-9-17-15)16-10-7-13-18-11-5-2-6-12-18/h3-4,8-9,14,16H,2,5-7,10-13H2,1H3
InChIKeyUMDFCJVLZHPGQA-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.61
Rot. Bonds6

About 3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine

3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine (PubChem CID 43203794) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine
PubChem CID43203794
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine
SMILESCC(NCCCN1CCCCC1)c1ccccn1
InChIInChI=1S/C15H25N3/c1-14(15-8-3-4-9-17-15)16-10-7-13-18-11-5-2-6-12-18/h3-4,8-9,14,16H,2,5-7,10-13H2,1H3
InChIKeyUMDFCJVLZHPGQA-UHFFFAOYSA-N
XLogP2.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine
CID 115872152
N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43108073
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone
CID 43396900
1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone
CID 43396870
N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 43203851
N-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203849
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
4-methoxy-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 104647537
1-[2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]imidazolidin-2-one
CID 81406832

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine?
The IUPAC name of 3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine (CID 43203794) is 3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine.
What is the SMILES notation for 3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine?
The canonical SMILES for 3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine is CC(NCCCN1CCCCC1)c1ccccn1.
What is the InChIKey of 3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine?
The InChIKey is UMDFCJVLZHPGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-14(15-8-3-4-9-17-15)16-10-7-13-18-11-5-2-6-12-18/h3-4,8-9,14,16H,2,5-7,10-13H2,1H3.
What are the key properties of 3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine?
3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 43203794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).