[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone

C13H19N3O — CID 95038922

IUPAC[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESC[C@H](N)[C@@H]1CCCCN1C(=O)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-10(14)12-6-2-3-8-16(12)13(17)11-5-4-7-15-9-11/h4-5,7,9-10,12H,2-3,6,8,14H2,1H3/t10-,12-/m0/s1
InChIKeyURMPFFHQGBNZQP-JQWIXIFHSA-N
MW233.31 g/mol
LogP1.42
Rot. Bonds2

About [(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone

[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95038922) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95038922
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESC[C@H](N)[C@@H]1CCCCN1C(=O)c1cccnc1
InChIInChI=1S/C13H19N3O/c1-10(14)12-6-2-3-8-16(12)13(17)11-5-4-7-15-9-11/h4-5,7,9-10,12H,2-3,6,8,14H2,1H3/t10-,12-/m0/s1
InChIKeyURMPFFHQGBNZQP-JQWIXIFHSA-N
XLogP1.42
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124689326
[2-(1-aminoethyl)piperidin-1-yl]-(5-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119436132
[2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 119434742
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061
[2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443198
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
[2-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66483593
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 119435141
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 124569378
1-[(4aR,9aR)-1-(pyridine-3-carbonyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 110145133

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 95038922) is [(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone is C[C@H](N)[C@@H]1CCCCN1C(=O)c1cccnc1.
What is the InChIKey of [(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is URMPFFHQGBNZQP-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(14)12-6-2-3-8-16(12)13(17)11-5-4-7-15-9-11/h4-5,7,9-10,12H,2-3,6,8,14H2,1H3/t10-,12-/m0/s1.
What are the key properties of [(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone?
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 233.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95038922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).