(5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone

C13H18N2O2 — CID 71290322

IUPAC(5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCCc1cncc(C(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C13H18N2O2/c1-2-10-7-11(9-14-8-10)13(17)15-5-3-12(16)4-6-15/h7-9,12,16H,2-6H2,1H3
InChIKeyMLIVJSDBAJUCHC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.24
Rot. Bonds2

About (5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone

(5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 71290322) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID71290322
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCCc1cncc(C(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C13H18N2O2/c1-2-10-7-11(9-14-8-10)13(17)15-5-3-12(16)4-6-15/h7-9,12,16H,2-6H2,1H3
InChIKeyMLIVJSDBAJUCHC-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227088
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
formic acid;1-[3-[[5-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]methyl]pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 171329697
4-(5-ethyl-3-pyridinyl)piperidine-1-carboxylic acid
CID 150860508
1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95846939
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
(4-methylpiperidin-1-yl)-[5-[(2,4,5-trichlorophenyl)sulfanylmethyl]-3-pyridinyl]methanone
CID 58210974
azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone
CID 109238896
[3-(chloromethyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 2794604
(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82486019

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone (CID 71290322) is (5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone is CCc1cncc(C(=O)N2CCC(O)CC2)c1.
What is the InChIKey of (5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is MLIVJSDBAJUCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-10-7-11(9-14-8-10)13(17)15-5-3-12(16)4-6-15/h7-9,12,16H,2-6H2,1H3.
What are the key properties of (5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone?
(5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 71290322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).