2-(2-phenylethyl)piperidine

C13H19N — CID 5190919

IUPAC2-(2-phenylethyl)piperidine
SMILESc1ccc(CCC2CCCCN2)cc1
InChIInChI=1S/C13H19N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyMOUYVILUKZKNDE-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.76
Rot. Bonds3

About 2-(2-phenylethyl)piperidine

2-(2-phenylethyl)piperidine (PubChem CID 5190919) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name2-(2-phenylethyl)piperidine
PubChem CID5190919
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-(2-phenylethyl)piperidine
SMILESc1ccc(CCC2CCCCN2)cc1
InChIInChI=1S/C13H19N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyMOUYVILUKZKNDE-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)piperidine?
The IUPAC name of 2-(2-phenylethyl)piperidine (CID 5190919) is 2-(2-phenylethyl)piperidine.
What is the SMILES notation for 2-(2-phenylethyl)piperidine?
The canonical SMILES for 2-(2-phenylethyl)piperidine is c1ccc(CCC2CCCCN2)cc1.
What is the InChIKey of 2-(2-phenylethyl)piperidine?
The InChIKey is MOUYVILUKZKNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-3,6-7,13-14H,4-5,8-11H2.
What are the key properties of 2-(2-phenylethyl)piperidine?
2-(2-phenylethyl)piperidine has a molecular weight of 189.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)piperidine is sourced from PubChem (CID 5190919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).