[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

C13H18N2O2 — CID 43422119

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCCC(CO)C2)n1
InChIInChI=1S/C13H18N2O2/c1-10-4-2-6-12(14-10)13(17)15-7-3-5-11(8-15)9-16/h2,4,6,11,16H,3,5,7-9H2,1H3
InChIKeySQIONBAJZJBCOE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.23
Rot. Bonds2

About [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 43422119) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID43422119
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCCC(CO)C2)n1
InChIInChI=1S/C13H18N2O2/c1-10-4-2-6-12(14-10)13(17)15-7-3-5-11(8-15)9-16/h2,4,6,11,16H,3,5,7-9H2,1H3
InChIKeySQIONBAJZJBCOE-UHFFFAOYSA-N
XLogP1.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 125006896
2-[(4S)-1-(6-methylpyridine-2-carbonyl)azepan-4-yl]acetic acid
CID 129488825
[3-(bromomethyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 80666813
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone;dihydrochloride
CID 119411017
(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 61060891
[3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 118740162
4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 25481314
ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
(3-aminoazetidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63754551
(3-chloropyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 63394911
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922
3-[(3S)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42466443

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 43422119) is [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCCC(CO)C2)n1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is SQIONBAJZJBCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-4-2-6-12(14-10)13(17)15-7-3-5-11(8-15)9-16/h2,4,6,11,16H,3,5,7-9H2,1H3.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 43422119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).