6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one

C15H27NO2 — CID 116563772

IUPAC6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one
SMILESO=C(CCCC1CCCO1)CCC1CCCCN1
InChIInChI=1S/C15H27NO2/c17-14(6-3-7-15-8-4-12-18-15)10-9-13-5-1-2-11-16-13/h13,15-16H,1-12H2
InChIKeyOBYDYQUTBHRUMH-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.83
Rot. Bonds7

About 6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one

6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one (PubChem CID 116563772) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one.

Molecular Properties

Compound Name6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one
PubChem CID116563772
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one
SMILESO=C(CCCC1CCCO1)CCC1CCCCN1
InChIInChI=1S/C15H27NO2/c17-14(6-3-7-15-8-4-12-18-15)10-9-13-5-1-2-11-16-13/h13,15-16H,1-12H2
InChIKeyOBYDYQUTBHRUMH-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-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

2-[3-(oxolan-2-yl)propyl]azepane
CID 65165342
2-[2-(oxolan-2-yl)ethyl]azepane
CID 65165343
1-chloro-7-(oxolan-2-yl)heptan-4-one
CID 66044442
3-(oxan-2-yl)-N-(2-piperidin-2-ylethyl)propanamide
CID 63952925
N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-2-ylpropanamide
CID 62211639
N-methyl-N-(oxan-2-ylmethyl)-3-piperidin-2-ylpropanamide
CID 62211472
1-(oxolan-2-yl)undecan-4-one
CID 114976697
2-[2-[2-(oxolan-2-yl)ethoxy]ethyl]piperidine
CID 65163156
N-[2-(oxolan-2-yl)ethyl]-3-piperidin-2-ylpropan-1-amine
CID 62214311
N-ethyl-3-(oxolan-2-yl)-N-(piperidin-2-ylmethyl)propanamide
CID 106626168
7-(oxolan-2-yl)hept-1-en-4-one
CID 116659572
N-[3-(oxolan-2-yl)propyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631701

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one?
The IUPAC name of 6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one (CID 116563772) is 6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one.
What is the SMILES notation for 6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one?
The canonical SMILES for 6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one is O=C(CCCC1CCCO1)CCC1CCCCN1.
What is the InChIKey of 6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one?
The InChIKey is OBYDYQUTBHRUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c17-14(6-3-7-15-8-4-12-18-15)10-9-13-5-1-2-11-16-13/h13,15-16H,1-12H2.
What are the key properties of 6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one?
6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one has a molecular weight of 253.39 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-yl)-1-piperidin-2-ylhexan-3-one is sourced from PubChem (CID 116563772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).