(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone

C13H18N2O2 — CID 115269846

IUPAC(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
SMILESCC1(C)CCN(C(=O)c2cccnc2)CC1O
InChIInChI=1S/C13H18N2O2/c1-13(2)5-7-15(9-11(13)16)12(17)10-4-3-6-14-8-10/h3-4,6,8,11,16H,5,7,9H2,1-2H3
InChIKeyOKQZMRIBHPCJNA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.31
Rot. Bonds1

About (3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone

(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone (PubChem CID 115269846) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
PubChem CID115269846
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
SMILESCC1(C)CCN(C(=O)c2cccnc2)CC1O
InChIInChI=1S/C13H18N2O2/c1-13(2)5-7-15(9-11(13)16)12(17)10-4-3-6-14-8-10/h3-4,6,8,11,16H,5,7,9H2,1-2H3
InChIKeyOKQZMRIBHPCJNA-UHFFFAOYSA-N
XLogP1.31
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115269824
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124985805
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
3-methyl-1-(pyridine-3-carbonyl)piperidin-4-one
CID 114499676
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282
1-[(3R,4R)-4-hydroxy-4-methyl-1-(pyridine-3-carbonyl)piperidin-3-yl]pyrimidine-2,4-dione
CID 110146533
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone
CID 97100846
S-[1-(pyridine-3-carbonyl)azetidin-3-yl] ethanethioate
CID 86242952
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone (CID 115269846) is (3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone is CC1(C)CCN(C(=O)c2cccnc2)CC1O.
What is the InChIKey of (3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone?
The InChIKey is OKQZMRIBHPCJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2)5-7-15(9-11(13)16)12(17)10-4-3-6-14-8-10/h3-4,6,8,11,16H,5,7,9H2,1-2H3.
What are the key properties of (3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone?
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone has a molecular weight of 234.30 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 115269846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).