[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone

C12H16N2O2 — CID 136582250

IUPAC[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone
SMILESC[C@H]1C[C@@H](O)CCN1C(=O)c1cccnc1
InChIInChI=1S/C12H16N2O2/c1-9-7-11(15)4-6-14(9)12(16)10-3-2-5-13-8-10/h2-3,5,8-9,11,15H,4,6-7H2,1H3/t9-,11-/m0/s1
InChIKeyHPZFJTLJZIQMEB-ONGXEEELSA-N
MW220.27 g/mol
LogP1.07
Rot. Bonds1

About [(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone

[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 136582250) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is [(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID136582250
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone
SMILESC[C@H]1C[C@@H](O)CCN1C(=O)c1cccnc1
InChIInChI=1S/C12H16N2O2/c1-9-7-11(15)4-6-14(9)12(16)10-3-2-5-13-8-10/h2-3,5,8-9,11,15H,4,6-7H2,1H3/t9-,11-/m0/s1
InChIKeyHPZFJTLJZIQMEB-ONGXEEELSA-N
XLogP1.07
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 133137955
(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868702
(2,5-dimethylmorpholin-4-yl)-pyridin-3-ylmethanone
CID 110727642
ethane;2-methyl-1-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 163264781
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
[(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 99779198
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
(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 119032862
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124691848
(4-amino-2-methylpiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 122149100
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[(3R)-3-methyl-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 10313453

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone (CID 136582250) is [(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone is C[C@H]1C[C@@H](O)CCN1C(=O)c1cccnc1.
What is the InChIKey of [(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is HPZFJTLJZIQMEB-ONGXEEELSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-7-11(15)4-6-14(9)12(16)10-3-2-5-13-8-10/h2-3,5,8-9,11,15H,4,6-7H2,1H3/t9-,11-/m0/s1.
What are the key properties of [(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone?
[(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 220.27 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-hydroxy-2-methylpiperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 136582250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).