3-(2-phenoxyethyl)piperidine

C13H19NO — CID 22309125

IUPAC3-(2-phenoxyethyl)piperidine
SMILESc1ccc(OCCC2CCCNC2)cc1
InChIInChI=1S/C13H19NO/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12/h1-3,6-7,12,14H,4-5,8-11H2
InChIKeyCRLFSQXWWCULSO-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.46
Rot. Bonds4

About 3-(2-phenoxyethyl)piperidine

3-(2-phenoxyethyl)piperidine (PubChem CID 22309125) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2-phenoxyethyl)piperidine.

Molecular Properties

Compound Name3-(2-phenoxyethyl)piperidine
PubChem CID22309125
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(2-phenoxyethyl)piperidine
SMILESc1ccc(OCCC2CCCNC2)cc1
InChIInChI=1S/C13H19NO/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12/h1-3,6-7,12,14H,4-5,8-11H2
InChIKeyCRLFSQXWWCULSO-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethyl)piperidine?
The IUPAC name of 3-(2-phenoxyethyl)piperidine (CID 22309125) is 3-(2-phenoxyethyl)piperidine.
What is the SMILES notation for 3-(2-phenoxyethyl)piperidine?
The canonical SMILES for 3-(2-phenoxyethyl)piperidine is c1ccc(OCCC2CCCNC2)cc1.
What is the InChIKey of 3-(2-phenoxyethyl)piperidine?
The InChIKey is CRLFSQXWWCULSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-6-13(7-3-1)15-10-8-12-5-4-9-14-11-12/h1-3,6-7,12,14H,4-5,8-11H2.
What are the key properties of 3-(2-phenoxyethyl)piperidine?
3-(2-phenoxyethyl)piperidine has a molecular weight of 205.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethyl)piperidine is sourced from PubChem (CID 22309125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).