1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone

C15H28N2O2 — CID 114681192

IUPAC1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CN1CCC(O)C(C)C1
InChIInChI=1S/C15H28N2O2/c1-3-13-6-4-5-8-17(13)15(19)11-16-9-7-14(18)12(2)10-16/h12-14,18H,3-11H2,1-2H3
InChIKeyNWLKOLRVUPIMMD-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.48
Rot. Bonds3

About 1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone

1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 114681192) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
PubChem CID114681192
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1C(=O)CN1CCC(O)C(C)C1
InChIInChI=1S/C15H28N2O2/c1-3-13-6-4-5-8-17(13)15(19)11-16-9-7-14(18)12(2)10-16/h12-14,18H,3-11H2,1-2H3
InChIKeyNWLKOLRVUPIMMD-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 55028926
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119917745
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119933610
2-(3,5-dimethylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 63872741
1-(2-ethylpiperidin-1-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 103657075
2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 108996084
(3S,4S)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953898
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 119926286
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651
1-(2-ethylpiperidin-1-yl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 87015598

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone (CID 114681192) is 1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone is CCC1CCCCN1C(=O)CN1CCC(O)C(C)C1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is NWLKOLRVUPIMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-13-6-4-5-8-17(13)15(19)11-16-9-7-14(18)12(2)10-16/h12-14,18H,3-11H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
1-(2-ethylpiperidin-1-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.48, 3 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-(4-hydroxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 114681192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).