4-[2-(phenoxymethyl)phenyl]piperidine

C18H21NO — CID 45483527

IUPAC4-[2-(phenoxymethyl)phenyl]piperidine
SMILESc1ccc(OCc2ccccc2C2CCNCC2)cc1
InChIInChI=1S/C18H21NO/c1-2-7-17(8-3-1)20-14-16-6-4-5-9-18(16)15-10-12-19-13-11-15/h1-9,15,19H,10-14H2
InChIKeySYLMRMITUMFBTA-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.73
Rot. Bonds4

About 4-[2-(phenoxymethyl)phenyl]piperidine

4-[2-(phenoxymethyl)phenyl]piperidine (PubChem CID 45483527) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[2-(phenoxymethyl)phenyl]piperidine.

Molecular Properties

Compound Name4-[2-(phenoxymethyl)phenyl]piperidine
PubChem CID45483527
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-[2-(phenoxymethyl)phenyl]piperidine
SMILESc1ccc(OCc2ccccc2C2CCNCC2)cc1
InChIInChI=1S/C18H21NO/c1-2-7-17(8-3-1)20-14-16-6-4-5-9-18(16)15-10-12-19-13-11-15/h1-9,15,19H,10-14H2
InChIKeySYLMRMITUMFBTA-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(phenoxymethyl)phenyl]piperidine?
The IUPAC name of 4-[2-(phenoxymethyl)phenyl]piperidine (CID 45483527) is 4-[2-(phenoxymethyl)phenyl]piperidine.
What is the SMILES notation for 4-[2-(phenoxymethyl)phenyl]piperidine?
The canonical SMILES for 4-[2-(phenoxymethyl)phenyl]piperidine is c1ccc(OCc2ccccc2C2CCNCC2)cc1.
What is the InChIKey of 4-[2-(phenoxymethyl)phenyl]piperidine?
The InChIKey is SYLMRMITUMFBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-7-17(8-3-1)20-14-16-6-4-5-9-18(16)15-10-12-19-13-11-15/h1-9,15,19H,10-14H2.
What are the key properties of 4-[2-(phenoxymethyl)phenyl]piperidine?
4-[2-(phenoxymethyl)phenyl]piperidine has a molecular weight of 267.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(phenoxymethyl)phenyl]piperidine is sourced from PubChem (CID 45483527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).