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

C14H21N3O — CID 81479420

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESNCC1CCCCN1C(=O)CCc1ccccn1
InChIInChI=1S/C14H21N3O/c15-11-13-6-2-4-10-17(13)14(18)8-7-12-5-1-3-9-16-12/h1,3,5,9,13H,2,4,6-8,10-11,15H2
InChIKeyYPGGRBPHJCDERC-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.35
Rot. Bonds4

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

1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 81479420) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID81479420
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESNCC1CCCCN1C(=O)CCc1ccccn1
InChIInChI=1S/C14H21N3O/c15-11-13-6-2-4-10-17(13)14(18)8-7-12-5-1-3-9-16-12/h1,3,5,9,13H,2,4,6-8,10-11,15H2
InChIKeyYPGGRBPHJCDERC-UHFFFAOYSA-N
XLogP1.35
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 116636366
3-amino-N-[[1-(3-pyridin-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120578303
1-[(2S)-2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 96580901
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone;dihydrochloride
CID 119632151
1-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 124573392
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 81453761
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
1-[2-(aminomethyl)azepan-1-yl]-3-(2-methylphenyl)propan-1-one
CID 116639941
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 126779902
3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 118773858
1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one
CID 115270907
3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 45211722

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one (CID 81479420) is 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one is NCC1CCCCN1C(=O)CCc1ccccn1.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is YPGGRBPHJCDERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-11-13-6-2-4-10-17(13)14(18)8-7-12-5-1-3-9-16-12/h1,3,5,9,13H,2,4,6-8,10-11,15H2.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one?
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 1.35, 4 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-ylpropan-1-one is sourced from PubChem (CID 81479420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).