2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone

C13H19N3O — CID 97165412

IUPAC2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone
SMILESNC[C@@H]1CCCCN1CC(=O)c1ccccn1
InChIInChI=1S/C13H19N3O/c14-9-11-5-2-4-8-16(11)10-13(17)12-6-1-3-7-15-12/h1,3,6-7,11H,2,4-5,8-10,14H2/t11-/m0/s1
InChIKeyOPIZTQVOCIGHBM-NSHDSACASA-N
MW233.31 g/mol
LogP1.08
Rot. Bonds4

About 2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone

2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone (PubChem CID 97165412) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone
PubChem CID97165412
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone
SMILESNC[C@@H]1CCCCN1CC(=O)c1ccccn1
InChIInChI=1S/C13H19N3O/c14-9-11-5-2-4-8-16(11)10-13(17)12-6-1-3-7-15-12/h1,3,6-7,11H,2,4-5,8-10,14H2/t11-/m0/s1
InChIKeyOPIZTQVOCIGHBM-NSHDSACASA-N
XLogP1.08
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
CID 119916209
1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 71649612
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
CID 119632371
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone
CID 71643824
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 126779902
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride
CID 71643823
2-[2-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119916158
[2-(2-chloroethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 55187043
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone
CID 71649464
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone?
The IUPAC name of 2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone (CID 97165412) is 2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone?
The canonical SMILES for 2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone is NC[C@@H]1CCCCN1CC(=O)c1ccccn1.
What is the InChIKey of 2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone?
The InChIKey is OPIZTQVOCIGHBM-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O/c14-9-11-5-2-4-8-16(11)10-13(17)12-6-1-3-7-15-12/h1,3,6-7,11H,2,4-5,8-10,14H2/t11-/m0/s1.
What are the key properties of 2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone?
2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone has a molecular weight of 233.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone is sourced from PubChem (CID 97165412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).