1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one

C15H29NO2 — CID 159702043

IUPAC1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one
SMILESCCCCC(=O)CC1CCN(CC(O)CC)CC1
InChIInChI=1S/C15H29NO2/c1-3-5-6-15(18)11-13-7-9-16(10-8-13)12-14(17)4-2/h13-14,17H,3-12H2,1-2H3
InChIKeyAOZFFAUXVBQNJG-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.62
Rot. Bonds8

About 1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one

1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one (PubChem CID 159702043) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one.

Molecular Properties

Compound Name1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one
PubChem CID159702043
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one
SMILESCCCCC(=O)CC1CCN(CC(O)CC)CC1
InChIInChI=1S/C15H29NO2/c1-3-5-6-15(18)11-13-7-9-16(10-8-13)12-14(17)4-2/h13-14,17H,3-12H2,1-2H3
InChIKeyAOZFFAUXVBQNJG-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-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-(1-tert-butylpiperidin-4-yl)hexan-2-one
CID 148889148
1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 62198498
1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740
1-piperidin-4-ylhexan-2-one
CID 116559845
1-cyclopentylundecan-2-one
CID 114966416
1-(1-methylpiperidin-4-yl)pentan-2-one
CID 58553181
1-cyclopentylheptadecan-2-one
CID 142770613
1-cyclohexylnonan-2-one
CID 22768059
1-(2-hydroxybutyl)piperidine-4-carbonitrile
CID 63631900
1-[4-(ethylamino)piperidin-1-yl]butan-2-ol
CID 60883910
1-(3-fluoropyrrolidin-1-yl)hexan-2-ol
CID 171507405
1-amino-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62200170

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one?
The IUPAC name of 1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one (CID 159702043) is 1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one.
What is the SMILES notation for 1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one?
The canonical SMILES for 1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one is CCCCC(=O)CC1CCN(CC(O)CC)CC1.
What is the InChIKey of 1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one?
The InChIKey is AOZFFAUXVBQNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-5-6-15(18)11-13-7-9-16(10-8-13)12-14(17)4-2/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one?
1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one has a molecular weight of 255.40 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one is sourced from PubChem (CID 159702043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).