(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone

C13H18N2O2 — CID 61060522

IUPAC(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC(O)C2)c(C)n1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-12(10(2)14-9)13(17)15-7-3-4-11(16)8-15/h5-6,11,16H,3-4,7-8H2,1-2H3
InChIKeyYJJYPTBBVIEQLB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.30
Rot. Bonds1

About (2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone

(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 61060522) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID61060522
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCCC(O)C2)c(C)n1
InChIInChI=1S/C13H18N2O2/c1-9-5-6-12(10(2)14-9)13(17)15-7-3-4-11(16)8-15/h5-6,11,16H,3-4,7-8H2,1-2H3
InChIKeyYJJYPTBBVIEQLB-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 61060891
(3-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883825
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
[3-(aminomethyl)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119465061
1-(2,6-dimethylpyridine-3-carbonyl)piperidine-3-sulfonamide
CID 62830617
(3-bromopyrrolidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80677896
(3-hydroxypiperidin-1-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
CID 110922130
(2,6-dimethyl-3-pyridinyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466183
(4-chloro-3-methylpiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 114683136
(4-bromopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 80661867
(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 62829888
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone (CID 61060522) is (2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone is Cc1ccc(C(=O)N2CCCC(O)C2)c(C)n1.
What is the InChIKey of (2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is YJJYPTBBVIEQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-6-12(10(2)14-9)13(17)15-7-3-4-11(16)8-15/h5-6,11,16H,3-4,7-8H2,1-2H3.
What are the key properties of (2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone?
(2,6-dimethyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.30, 1 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-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 61060522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).