1-(3-ethyl-2-hydroxypentyl)piperidin-2-one

C12H23NO2 — CID 106288701

IUPAC1-(3-ethyl-2-hydroxypentyl)piperidin-2-one
SMILESCCC(CC)C(O)CN1CCCCC1=O
InChIInChI=1S/C12H23NO2/c1-3-10(4-2)11(14)9-13-8-6-5-7-12(13)15/h10-11,14H,3-9H2,1-2H3
InChIKeyBMHWNZNZHMBTHM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.80
Rot. Bonds5

About 1-(3-ethyl-2-hydroxypentyl)piperidin-2-one

1-(3-ethyl-2-hydroxypentyl)piperidin-2-one (PubChem CID 106288701) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3-ethyl-2-hydroxypentyl)piperidin-2-one.

Molecular Properties

Compound Name1-(3-ethyl-2-hydroxypentyl)piperidin-2-one
PubChem CID106288701
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(3-ethyl-2-hydroxypentyl)piperidin-2-one
SMILESCCC(CC)C(O)CN1CCCCC1=O
InChIInChI=1S/C12H23NO2/c1-3-10(4-2)11(14)9-13-8-6-5-7-12(13)15/h10-11,14H,3-9H2,1-2H3
InChIKeyBMHWNZNZHMBTHM-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-[2-hydroxy-2-[1-hydroxy-2-(2-oxoazepan-1-yl)ethoxy]ethyl]azepan-2-one
CID 165374398
1-(3-chloro-2-hydroxypropyl)piperidin-2-one
CID 112560133
1-[2-hydroxy-3-(methylamino)propyl]azocan-2-one
CID 43187981
1-[2-(propylamino)butyl]piperidin-2-one
CID 62040592
1-[3-(tert-butylamino)-2-hydroxypropyl]azepan-2-one
CID 115475535
1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
CID 70616832
1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one
CID 65012384
1-(2-ethylhexyl)azepan-2-one
CID 15001204
1-(3-amino-2-methylpropyl)piperidin-2-one
CID 43367864
1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one
CID 104753129
3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 79006816

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-hydroxypentyl)piperidin-2-one?
The IUPAC name of 1-(3-ethyl-2-hydroxypentyl)piperidin-2-one (CID 106288701) is 1-(3-ethyl-2-hydroxypentyl)piperidin-2-one.
What is the SMILES notation for 1-(3-ethyl-2-hydroxypentyl)piperidin-2-one?
The canonical SMILES for 1-(3-ethyl-2-hydroxypentyl)piperidin-2-one is CCC(CC)C(O)CN1CCCCC1=O.
What is the InChIKey of 1-(3-ethyl-2-hydroxypentyl)piperidin-2-one?
The InChIKey is BMHWNZNZHMBTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-10(4-2)11(14)9-13-8-6-5-7-12(13)15/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-(3-ethyl-2-hydroxypentyl)piperidin-2-one?
1-(3-ethyl-2-hydroxypentyl)piperidin-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-hydroxypentyl)piperidin-2-one is sourced from PubChem (CID 106288701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).