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

C14H20N2O2 — CID 61060891

IUPAC(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(CO)C2)c(C)n1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-13(11(2)15-10)14(18)16-7-3-4-12(8-16)9-17/h5-6,12,17H,3-4,7-9H2,1-2H3
InChIKeyHDPPQORPQGXOAI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.54
Rot. Bonds2

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

(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 61060891) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID61060891
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(CO)C2)c(C)n1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-13(11(2)15-10)14(18)16-7-3-4-12(8-16)9-17/h5-6,12,17H,3-4,7-9H2,1-2H3
InChIKeyHDPPQORPQGXOAI-UHFFFAOYSA-N
XLogP1.54
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119465061
(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61060522
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide
CID 62830617
(3-bromopyrrolidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80677896
(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 62829888
(2,6-dimethyl-3-pyridinyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466183
6-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridine-3-carboxylic acid
CID 112627134
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
(2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422462

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 61060891) is (2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCC(CO)C2)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is HDPPQORPQGXOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-6-13(11(2)15-10)14(18)16-7-3-4-12(8-16)9-17/h5-6,12,17H,3-4,7-9H2,1-2H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 61060891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).