1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one

C13H23NO2 — CID 79538373

IUPAC1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CC1CCCO1
InChIInChI=1S/C13H23NO2/c1-11(15)9-12-5-2-3-7-14(12)10-13-6-4-8-16-13/h12-13H,2-10H2,1H3
InChIKeyHTFXNPDCGJHVOC-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.00
Rot. Bonds4

About 1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one

1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one (PubChem CID 79538373) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one
PubChem CID79538373
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1CC1CCCO1
InChIInChI=1S/C13H23NO2/c1-11(15)9-12-5-2-3-7-14(12)10-13-6-4-8-16-13/h12-13H,2-10H2,1H3
InChIKeyHTFXNPDCGJHVOC-UHFFFAOYSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one (CID 79538373) is 1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1CC1CCCO1.
What is the InChIKey of 1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one?
The InChIKey is HTFXNPDCGJHVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(15)9-12-5-2-3-7-14(12)10-13-6-4-8-16-13/h12-13H,2-10H2,1H3.
What are the key properties of 1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one?
1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one has a molecular weight of 225.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-ylmethyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79538373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).