3-benzyl-4-(oxolan-3-yl)piperidine

C16H23NO — CID 79321075

IUPAC3-benzyl-4-(oxolan-3-yl)piperidine
SMILESc1ccc(CC2CNCCC2C2CCOC2)cc1
InChIInChI=1S/C16H23NO/c1-2-4-13(5-3-1)10-15-11-17-8-6-16(15)14-7-9-18-12-14/h1-5,14-17H,6-12H2
InChIKeyRRCCJMBFMREESI-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.49
Rot. Bonds3

About 3-benzyl-4-(oxolan-3-yl)piperidine

3-benzyl-4-(oxolan-3-yl)piperidine (PubChem CID 79321075) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-benzyl-4-(oxolan-3-yl)piperidine.

Molecular Properties

Compound Name3-benzyl-4-(oxolan-3-yl)piperidine
PubChem CID79321075
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-benzyl-4-(oxolan-3-yl)piperidine
SMILESc1ccc(CC2CNCCC2C2CCOC2)cc1
InChIInChI=1S/C16H23NO/c1-2-4-13(5-3-1)10-15-11-17-8-6-16(15)14-7-9-18-12-14/h1-5,14-17H,6-12H2
InChIKeyRRCCJMBFMREESI-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(oxolan-3-yl)piperidine?
The IUPAC name of 3-benzyl-4-(oxolan-3-yl)piperidine (CID 79321075) is 3-benzyl-4-(oxolan-3-yl)piperidine.
What is the SMILES notation for 3-benzyl-4-(oxolan-3-yl)piperidine?
The canonical SMILES for 3-benzyl-4-(oxolan-3-yl)piperidine is c1ccc(CC2CNCCC2C2CCOC2)cc1.
What is the InChIKey of 3-benzyl-4-(oxolan-3-yl)piperidine?
The InChIKey is RRCCJMBFMREESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-4-13(5-3-1)10-15-11-17-8-6-16(15)14-7-9-18-12-14/h1-5,14-17H,6-12H2.
What are the key properties of 3-benzyl-4-(oxolan-3-yl)piperidine?
3-benzyl-4-(oxolan-3-yl)piperidine has a molecular weight of 245.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(oxolan-3-yl)piperidine is sourced from PubChem (CID 79321075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).