2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one

C15H29NO2 — CID 62372858

IUPAC2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C15H29NO2/c1-3-5-8-14(4-2)15(18)16-10-6-7-13(12-16)9-11-17/h13-14,17H,3-12H2,1-2H3
InChIKeyXWRNNDHSSGRERD-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.82
Rot. Bonds7

About 2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one

2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one (PubChem CID 62372858) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one
PubChem CID62372858
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C15H29NO2/c1-3-5-8-14(4-2)15(18)16-10-6-7-13(12-16)9-11-17/h13-14,17H,3-12H2,1-2H3
InChIKeyXWRNNDHSSGRERD-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43422444
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
CID 114802168
1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 62356771
4-[3-(2-hydroxyethyl)piperidin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 107214215
6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 107217037
2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one
CID 63106212
2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid
CID 55105089
1-(3-bromopyrrolidin-1-yl)-2-ethylhexan-1-one
CID 80677700
2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
propan-2-yl 3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 62356607
3,3,3-trifluoro-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 103310164
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one?
The IUPAC name of 2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one (CID 62372858) is 2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one is CCCCC(CC)C(=O)N1CCCC(CCO)C1.
What is the InChIKey of 2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one?
The InChIKey is XWRNNDHSSGRERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-5-8-14(4-2)15(18)16-10-6-7-13(12-16)9-11-17/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one?
2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one has a molecular weight of 255.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 62372858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).