1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one

C14H19N3O — CID 126779902

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one
SMILESNCC1CCCCN1C(=O)C=Cc1ccccn1
InChIInChI=1S/C14H19N3O/c15-11-13-6-2-4-10-17(13)14(18)8-7-12-5-1-3-9-16-12/h1,3,5,7-9,13H,2,4,6,10-11,15H2
InChIKeyZMBQHDUYYRHUEJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.43
Rot. Bonds3

About 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one

1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one (PubChem CID 126779902) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one
PubChem CID126779902
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one
SMILESNCC1CCCCN1C(=O)C=Cc1ccccn1
InChIInChI=1S/C14H19N3O/c15-11-13-6-2-4-10-17(13)14(18)8-7-12-5-1-3-9-16-12/h1,3,5,7-9,13H,2,4,6,10-11,15H2
InChIKeyZMBQHDUYYRHUEJ-UHFFFAOYSA-N
XLogP1.43
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(aminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one
CID 126782984
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
1-[2-(aminomethyl)piperidin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 126795170
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2,6-difluorophenyl)prop-2-en-1-one
CID 126778667
(E)-1-[2-(hydroxymethyl)azepan-1-yl]-3-phenylprop-2-en-1-one
CID 116635920
1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid
CID 167868580
N-[1-(3-pyridin-2-ylprop-2-enoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 103598850
2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone
CID 97165412
1-[2-(aminomethyl)piperidin-1-yl]-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-en-1-one
CID 126790036
(E)-1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one
CID 81482577
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone;dihydrochloride
CID 119632151
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
CID 119632371

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one (CID 126779902) is 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one is NCC1CCCCN1C(=O)C=Cc1ccccn1.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one?
The InChIKey is ZMBQHDUYYRHUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-11-13-6-2-4-10-17(13)14(18)8-7-12-5-1-3-9-16-12/h1,3,5,7-9,13H,2,4,6,10-11,15H2.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one?
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one has a molecular weight of 245.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 126779902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).