1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone

C17H26N2O2 — CID 110877170

IUPAC1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone
SMILESCCC1CCCCN1C(=O)CN(CCO)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-2-15-8-6-7-11-19(15)17(21)14-18(12-13-20)16-9-4-3-5-10-16/h3-5,9-10,15,20H,2,6-8,11-14H2,1H3
InChIKeyAPGYCLJQPTUNRE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.28
Rot. Bonds6

About 1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone

1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone (PubChem CID 110877170) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone
PubChem CID110877170
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone
SMILESCCC1CCCCN1C(=O)CN(CCO)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-2-15-8-6-7-11-19(15)17(21)14-18(12-13-20)16-9-4-3-5-10-16/h3-5,9-10,15,20H,2,6-8,11-14H2,1H3
InChIKeyAPGYCLJQPTUNRE-UHFFFAOYSA-N
XLogP2.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
CID 113165843
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 78767110
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2-ethylpiperidin-1-yl)ethanone
CID 60694049
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-4-methyl-N-phenylbenzenesulfonamide
CID 112760192
2-(dipropylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 86910548
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 682215
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 113167733
2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 124838955
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
(Z)-1-(2-ethylpiperidin-1-yl)-2,3-diphenylprop-2-en-1-one
CID 6378625
1-(2-ethylpiperidin-1-yl)-4-phenoxybutan-1-one
CID 2914939

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone (CID 110877170) is 1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone is CCC1CCCCN1C(=O)CN(CCO)c1ccccc1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone?
The InChIKey is APGYCLJQPTUNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-15-8-6-7-11-19(15)17(21)14-18(12-13-20)16-9-4-3-5-10-16/h3-5,9-10,15,20H,2,6-8,11-14H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone?
1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-[N-(2-hydroxyethyl)anilino]ethanone is sourced from PubChem (CID 110877170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).