(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone

C14H20N2O2 — CID 106753502

IUPAC(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2ccnc(C)c2)CCC1O
InChIInChI=1S/C14H20N2O2/c1-3-11-9-16(7-5-13(11)17)14(18)12-4-6-15-10(2)8-12/h4,6,8,11,13,17H,3,5,7,9H2,1-2H3
InChIKeyRYRRKYKFJDYJFC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.62
Rot. Bonds2

About (3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone

(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone (PubChem CID 106753502) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
PubChem CID106753502
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
SMILESCCC1CN(C(=O)c2ccnc(C)c2)CCC1O
InChIInChI=1S/C14H20N2O2/c1-3-11-9-16(7-5-13(11)17)14(18)12-4-6-15-10(2)8-12/h4,6,8,11,13,17H,3,5,7,9H2,1-2H3
InChIKeyRYRRKYKFJDYJFC-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753716
(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone
CID 114509899
(3-ethyl-4-hydroxypiperidin-1-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 114510033
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753585
(3-ethylpyrrolidin-1-yl)-(2-fluoro-4-pyridinyl)methanone
CID 115686935
(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678232
2-[(3S,4S)-1-(2-chloropyridine-4-carbonyl)-3-ethylpiperidin-4-yl]-N,N-diethylacetamide
CID 163072541
N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 118773574
[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942527
[2-(aminomethyl)-4-pyridinyl]-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 113417381
(3-ethylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167547190

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone?
The IUPAC name of (3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone (CID 106753502) is (3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for (3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone?
The canonical SMILES for (3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone is CCC1CN(C(=O)c2ccnc(C)c2)CCC1O.
What is the InChIKey of (3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone?
The InChIKey is RYRRKYKFJDYJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-11-9-16(7-5-13(11)17)14(18)12-4-6-15-10(2)8-12/h4,6,8,11,13,17H,3,5,7,9H2,1-2H3.
What are the key properties of (3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone?
(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 106753502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).