1-(2-phenylethyl)piperidine

C13H19N — CID 9513

IUPAC1-(2-phenylethyl)piperidine
SMILESc1ccc(CCN2CCCCC2)cc1
InChIInChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyDBDVAKGHPZJLTH-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.71
Rot. Bonds3

About 1-(2-phenylethyl)piperidine

1-(2-phenylethyl)piperidine (PubChem CID 9513) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name1-(2-phenylethyl)piperidine
PubChem CID9513
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-(2-phenylethyl)piperidine
SMILESc1ccc(CCN2CCCCC2)cc1
InChIInChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyDBDVAKGHPZJLTH-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)piperidine?
The IUPAC name of 1-(2-phenylethyl)piperidine (CID 9513) is 1-(2-phenylethyl)piperidine.
What is the SMILES notation for 1-(2-phenylethyl)piperidine?
The canonical SMILES for 1-(2-phenylethyl)piperidine is c1ccc(CCN2CCCCC2)cc1.
What is the InChIKey of 1-(2-phenylethyl)piperidine?
The InChIKey is DBDVAKGHPZJLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14/h1,3-4,7-8H,2,5-6,9-12H2.
What are the key properties of 1-(2-phenylethyl)piperidine?
1-(2-phenylethyl)piperidine has a molecular weight of 189.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)piperidine is sourced from PubChem (CID 9513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).