1-(oxan-2-ylmethyl)piperidine

C11H21NO — CID 91362714

IUPAC1-(oxan-2-ylmethyl)piperidine
SMILESC1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C11H21NO/c1-3-7-12(8-4-1)10-11-6-2-5-9-13-11/h11H,1-10H2
InChIKeyFPXBWEIBEBMSJU-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds2

About 1-(oxan-2-ylmethyl)piperidine

1-(oxan-2-ylmethyl)piperidine (PubChem CID 91362714) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)piperidine
PubChem CID91362714
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(oxan-2-ylmethyl)piperidine
SMILESC1CCN(CC2CCCCO2)CC1
InChIInChI=1S/C11H21NO/c1-3-7-12(8-4-1)10-11-6-2-5-9-13-11/h11H,1-10H2
InChIKeyFPXBWEIBEBMSJU-UHFFFAOYSA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(oxan-2-ylmethyl)piperidine 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-(oxan-2-ylmethyl)piperidine?
The IUPAC name of 1-(oxan-2-ylmethyl)piperidine (CID 91362714) is 1-(oxan-2-ylmethyl)piperidine.
What is the SMILES notation for 1-(oxan-2-ylmethyl)piperidine?
The canonical SMILES for 1-(oxan-2-ylmethyl)piperidine is C1CCN(CC2CCCCO2)CC1.
What is the InChIKey of 1-(oxan-2-ylmethyl)piperidine?
The InChIKey is FPXBWEIBEBMSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-7-12(8-4-1)10-11-6-2-5-9-13-11/h11H,1-10H2.
What are the key properties of 1-(oxan-2-ylmethyl)piperidine?
1-(oxan-2-ylmethyl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)piperidine is sourced from PubChem (CID 91362714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).