1-phenylpiperidine

C11H15N — CID 20038

IUPAC1-phenylpiperidine
SMILESc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyLLSKXGRDUPMXLC-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.68
Rot. Bonds1

About 1-phenylpiperidine

1-phenylpiperidine (PubChem CID 20038) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-phenylpiperidine.

Molecular Properties

Compound Name1-phenylpiperidine
PubChem CID20038
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-phenylpiperidine
SMILESc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyLLSKXGRDUPMXLC-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpiperidine?
The IUPAC name of 1-phenylpiperidine (CID 20038) is 1-phenylpiperidine.
What is the SMILES notation for 1-phenylpiperidine?
The canonical SMILES for 1-phenylpiperidine is c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-phenylpiperidine?
The InChIKey is LLSKXGRDUPMXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8H,2,5-6,9-10H2.
What are the key properties of 1-phenylpiperidine?
1-phenylpiperidine has a molecular weight of 161.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpiperidine is sourced from PubChem (CID 20038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).