1-butyl-4-hydroxypiperidin-2-one

C9H17NO2 — CID 117013970

IUPAC1-butyl-4-hydroxypiperidin-2-one
SMILESCCCCN1CCC(O)CC1=O
InChIInChI=1S/C9H17NO2/c1-2-3-5-10-6-4-8(11)7-9(10)12/h8,11H,2-7H2,1H3
InChIKeyBXIKWRPLEOQZGU-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.77
Rot. Bonds3

About 1-butyl-4-hydroxypiperidin-2-one

1-butyl-4-hydroxypiperidin-2-one (PubChem CID 117013970) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-butyl-4-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-butyl-4-hydroxypiperidin-2-one
PubChem CID117013970
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-butyl-4-hydroxypiperidin-2-one
SMILESCCCCN1CCC(O)CC1=O
InChIInChI=1S/C9H17NO2/c1-2-3-5-10-6-4-8(11)7-9(10)12/h8,11H,2-7H2,1H3
InChIKeyBXIKWRPLEOQZGU-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-octylpiperidin-2-one
CID 139271548
4-benzhydryl-1-butylpiperidin-2-one
CID 21135971
3-hydroxy-1-pentylpyrrolidin-2-one
CID 117014185
1-butyl-3-fluoropyrrolidin-2-one
CID 45088613
4-hydroxy-1-prop-1-en-2-ylpiperidin-2-one
CID 134406084
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
1-butyl-3-propan-2-ylpyrrolidin-2-one
CID 139951375
4-chloro-1-hexylpyrrolidin-2-one
CID 168687403
1,4-dibutylpiperazine-2,5-dione
CID 19902955
1,3-dibutylimidazolidin-2-one
CID 20887
sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 23662544
1-butylpiperidine-2,4-dione
CID 79515410

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxypiperidin-2-one?
The IUPAC name of 1-butyl-4-hydroxypiperidin-2-one (CID 117013970) is 1-butyl-4-hydroxypiperidin-2-one.
What is the SMILES notation for 1-butyl-4-hydroxypiperidin-2-one?
The canonical SMILES for 1-butyl-4-hydroxypiperidin-2-one is CCCCN1CCC(O)CC1=O.
What is the InChIKey of 1-butyl-4-hydroxypiperidin-2-one?
The InChIKey is BXIKWRPLEOQZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-5-10-6-4-8(11)7-9(10)12/h8,11H,2-7H2,1H3.
What are the key properties of 1-butyl-4-hydroxypiperidin-2-one?
1-butyl-4-hydroxypiperidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxypiperidin-2-one is sourced from PubChem (CID 117013970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).