(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone

C12H16N2O2 — CID 115875110

IUPAC(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
SMILESCC1(O)CCCN(C(=O)c2cccnc2)C1
InChIInChI=1S/C12H16N2O2/c1-12(16)5-3-7-14(9-12)11(15)10-4-2-6-13-8-10/h2,4,6,8,16H,3,5,7,9H2,1H3
InChIKeyRJMGKDNRWXDFKB-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.07
Rot. Bonds1

About (3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone

(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone (PubChem CID 115875110) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
PubChem CID115875110
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
SMILESCC1(O)CCCN(C(=O)c2cccnc2)C1
InChIInChI=1S/C12H16N2O2/c1-12(16)5-3-7-14(9-12)11(15)10-4-2-6-13-8-10/h2,4,6,8,16H,3,5,7,9H2,1H3
InChIKeyRJMGKDNRWXDFKB-UHFFFAOYSA-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

2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
(5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344085
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
[(3R)-3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 124987721
(3-hydroxy-3-methylpiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 115874915
(2-methylsulfonyl-2,9-diazaspiro[4.5]decan-9-yl)-pyridin-3-ylmethanone
CID 131638627
(3-bromophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875011
(3-hydroxy-3-methylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 115875217
(4-hydroxy-4-methylazepan-1-yl)-pyridazin-4-ylmethanone
CID 107405992
(3-hydroxy-3-methylpiperidin-1-yl)-(4-sulfanylphenyl)methanone
CID 107036053
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
(4-tert-butylphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874566

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone (CID 115875110) is (3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone is CC1(O)CCCN(C(=O)c2cccnc2)C1.
What is the InChIKey of (3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone?
The InChIKey is RJMGKDNRWXDFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(16)5-3-7-14(9-12)11(15)10-4-2-6-13-8-10/h2,4,6,8,16H,3,5,7,9H2,1H3.
What are the key properties of (3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone?
(3-hydroxy-3-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 (3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 115875110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).