3-[2-(oxan-4-yloxy)phenyl]piperidine

C16H23NO2 — CID 117408165

IUPAC3-[2-(oxan-4-yloxy)phenyl]piperidine
SMILESc1ccc(C2CCCNC2)c(OC2CCOCC2)c1
InChIInChI=1S/C16H23NO2/c1-2-6-16(19-14-7-10-18-11-8-14)15(5-1)13-4-3-9-17-12-13/h1-2,5-6,13-14,17H,3-4,7-12H2
InChIKeyOGPVJYROHLNVCW-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.71
Rot. Bonds3

About 3-[2-(oxan-4-yloxy)phenyl]piperidine

3-[2-(oxan-4-yloxy)phenyl]piperidine (PubChem CID 117408165) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[2-(oxan-4-yloxy)phenyl]piperidine.

Molecular Properties

Compound Name3-[2-(oxan-4-yloxy)phenyl]piperidine
PubChem CID117408165
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-[2-(oxan-4-yloxy)phenyl]piperidine
SMILESc1ccc(C2CCCNC2)c(OC2CCOCC2)c1
InChIInChI=1S/C16H23NO2/c1-2-6-16(19-14-7-10-18-11-8-14)15(5-1)13-4-3-9-17-12-13/h1-2,5-6,13-14,17H,3-4,7-12H2
InChIKeyOGPVJYROHLNVCW-UHFFFAOYSA-N
XLogP2.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(2-piperidin-4-ylphenoxy)piperidine
CID 58817373
4-[2-[(3R)-oxolan-3-yl]oxyphenyl]piperidine
CID 156722278
3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
CID 117470801
4-(2-cyclopentyloxyphenyl)piperidine
CID 156722248
3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine
CID 117408157
ethane;3-(2-methylphenyl)piperidine
CID 144655647
3-[2-(oxolan-3-yl)phenyl]pyrrolidine
CID 83836153
3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine
CID 84700227
2-[2-(thian-4-yloxy)phenyl]morpholine
CID 117448476
3-(2-iodophenoxy)piperidine
CID 56831165
(3S)-3-(2-tert-butylphenyl)piperidine
CID 118547022
2-[(3R)-piperidin-3-yl]benzonitrile
CID 93478487

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-4-yloxy)phenyl]piperidine?
The IUPAC name of 3-[2-(oxan-4-yloxy)phenyl]piperidine (CID 117408165) is 3-[2-(oxan-4-yloxy)phenyl]piperidine.
What is the SMILES notation for 3-[2-(oxan-4-yloxy)phenyl]piperidine?
The canonical SMILES for 3-[2-(oxan-4-yloxy)phenyl]piperidine is c1ccc(C2CCCNC2)c(OC2CCOCC2)c1.
What is the InChIKey of 3-[2-(oxan-4-yloxy)phenyl]piperidine?
The InChIKey is OGPVJYROHLNVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-6-16(19-14-7-10-18-11-8-14)15(5-1)13-4-3-9-17-12-13/h1-2,5-6,13-14,17H,3-4,7-12H2.
What are the key properties of 3-[2-(oxan-4-yloxy)phenyl]piperidine?
3-[2-(oxan-4-yloxy)phenyl]piperidine has a molecular weight of 261.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-4-yloxy)phenyl]piperidine is sourced from PubChem (CID 117408165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).