4-phenoxypiperidine

C11H15NO — CID 18878

IUPAC4-phenoxypiperidine
SMILESc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChIKeyKBYPITRKIJKGMD-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.82
Rot. Bonds2

About 4-phenoxypiperidine

4-phenoxypiperidine (PubChem CID 18878) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-phenoxypiperidine.

Molecular Properties

Compound Name4-phenoxypiperidine
PubChem CID18878
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name4-phenoxypiperidine
SMILESc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChIKeyKBYPITRKIJKGMD-UHFFFAOYSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxypiperidine?
The IUPAC name of 4-phenoxypiperidine (CID 18878) is 4-phenoxypiperidine.
What is the SMILES notation for 4-phenoxypiperidine?
The canonical SMILES for 4-phenoxypiperidine is c1ccc(OC2CCNCC2)cc1.
What is the InChIKey of 4-phenoxypiperidine?
The InChIKey is KBYPITRKIJKGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-12H,6-9H2.
What are the key properties of 4-phenoxypiperidine?
4-phenoxypiperidine has a molecular weight of 177.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxypiperidine is sourced from PubChem (CID 18878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).