4-hydroxy-1-piperidin-1-ylbutan-1-one

C9H17NO2 — CID 10374863

IUPAC4-hydroxy-1-piperidin-1-ylbutan-1-one
SMILESO=C(CCCO)N1CCCCC1
InChIInChI=1S/C9H17NO2/c11-8-4-5-9(12)10-6-2-1-3-7-10/h11H,1-8H2
InChIKeyNJSXUEHPNPYBGY-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.77
Rot. Bonds3

About 4-hydroxy-1-piperidin-1-ylbutan-1-one

4-hydroxy-1-piperidin-1-ylbutan-1-one (PubChem CID 10374863) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-hydroxy-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-piperidin-1-ylbutan-1-one
PubChem CID10374863
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-hydroxy-1-piperidin-1-ylbutan-1-one
SMILESO=C(CCCO)N1CCCCC1
InChIInChI=1S/C9H17NO2/c11-8-4-5-9(12)10-6-2-1-3-7-10/h11H,1-8H2
InChIKeyNJSXUEHPNPYBGY-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

Analyze 4-hydroxy-1-piperidin-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Hydroxypiperidin-1-yl)butan-1-one
CID 23295198
5-Hydroxy-1-piperidin-1-ylpentan-1-one
CID 13088428
Hydroxybutyl piperidone
CID 43509858
N,N-Dihexyl-4-hydroxybutanamide
CID 71407073
1-(3-Hydroxypropyl)piperidin-2-one
CID 574874
1-(2-Hydroxypiperidin-1-yl)butan-1-one
CID 134988125
4-Hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 79192273
4-Hydroxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 79205204
1-(4,4-Difluoropiperidin-1-yl)-4-hydroxybutan-1-one
CID 116991104
1-(3,3-Difluoropiperidin-1-yl)-4-hydroxybutan-1-one
CID 116991457
4-hydroxy-N,N-dipropylpentanamide
CID 245466
Cyclopropyl-(4-hydroxymethyl-piperidin-1-yl)-methanone
CID 10012597

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-hydroxy-1-piperidin-1-ylbutan-1-one (CID 10374863) is 4-hydroxy-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-hydroxy-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-hydroxy-1-piperidin-1-ylbutan-1-one is O=C(CCCO)N1CCCCC1.
What is the InChIKey of 4-hydroxy-1-piperidin-1-ylbutan-1-one?
The InChIKey is NJSXUEHPNPYBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-8-4-5-9(12)10-6-2-1-3-7-10/h11H,1-8H2.
What are the key properties of 4-hydroxy-1-piperidin-1-ylbutan-1-one?
4-hydroxy-1-piperidin-1-ylbutan-1-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 4-hydroxy-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 10374863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).