1-(2-hydroxybutyl)-3-methylpiperidin-2-one

C10H19NO2 — CID 104680249

IUPAC1-(2-hydroxybutyl)-3-methylpiperidin-2-one
SMILESCCC(O)CN1CCCC(C)C1=O
InChIInChI=1S/C10H19NO2/c1-3-9(12)7-11-6-4-5-8(2)10(11)13/h8-9,12H,3-7H2,1-2H3
InChIKeyCFUNUCFFDPWERJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.02
Rot. Bonds3

About 1-(2-hydroxybutyl)-3-methylpiperidin-2-one

1-(2-hydroxybutyl)-3-methylpiperidin-2-one (PubChem CID 104680249) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2-hydroxybutyl)-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxybutyl)-3-methylpiperidin-2-one
PubChem CID104680249
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(2-hydroxybutyl)-3-methylpiperidin-2-one
SMILESCCC(O)CN1CCCC(C)C1=O
InChIInChI=1S/C10H19NO2/c1-3-9(12)7-11-6-4-5-8(2)10(11)13/h8-9,12H,3-7H2,1-2H3
InChIKeyCFUNUCFFDPWERJ-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 18340851
1-Cyclopentanecarbonylpiperidin-3-ol
CID 43415677
1-[(2S)-2-hydroxypropyl]piperidin-2-one
CID 121598028
4-Methyl-1-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]pentan-1-one
CID 75507490
3,3-difluoro-1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]butan-1-one
CID 126790798
1-[3-(Difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one
CID 126716199
1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one
CID 139513592
(2R,3S)-3-hydroxy-N-[(2S,3S)-3-hydroxybutan-2-yl]-N,2-dimethylpentanamide
CID 134874963
5-(Dipropylamino)-4-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one
CID 3050000
4-methyl-1-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-1-yl]pentan-1-one
CID 97832990
4-methyl-1-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-1-yl]pentan-1-one
CID 97832991
2-Fluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 109958470

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxybutyl)-3-methylpiperidin-2-one?
The IUPAC name of 1-(2-hydroxybutyl)-3-methylpiperidin-2-one (CID 104680249) is 1-(2-hydroxybutyl)-3-methylpiperidin-2-one.
What is the SMILES notation for 1-(2-hydroxybutyl)-3-methylpiperidin-2-one?
The canonical SMILES for 1-(2-hydroxybutyl)-3-methylpiperidin-2-one is CCC(O)CN1CCCC(C)C1=O.
What is the InChIKey of 1-(2-hydroxybutyl)-3-methylpiperidin-2-one?
The InChIKey is CFUNUCFFDPWERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-9(12)7-11-6-4-5-8(2)10(11)13/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 1-(2-hydroxybutyl)-3-methylpiperidin-2-one?
1-(2-hydroxybutyl)-3-methylpiperidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxybutyl)-3-methylpiperidin-2-one is sourced from PubChem (CID 104680249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).