(2S)-2-(3,4-diphenoxyphenyl)piperidine

C23H23NO2 — CID 171194795

IUPAC(2S)-2-(3,4-diphenoxyphenyl)piperidine
SMILESc1ccc(Oc2ccc([C@@H]3CCCCN3)cc2Oc2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-3-9-19(10-4-1)25-22-15-14-18(21-13-7-8-16-24-21)17-23(22)26-20-11-5-2-6-12-20/h1-6,9-12,14-15,17,21,24H,7-8,13,16H2/t21-/m0/s1
InChIKeyFAZFFJQEVKNCDL-NRFANRHFSA-N
MW345.44 g/mol
LogP6.09
Rot. Bonds5

About (2S)-2-(3,4-diphenoxyphenyl)piperidine

(2S)-2-(3,4-diphenoxyphenyl)piperidine (PubChem CID 171194795) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-2-(3,4-diphenoxyphenyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(3,4-diphenoxyphenyl)piperidine
PubChem CID171194795
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(2S)-2-(3,4-diphenoxyphenyl)piperidine
SMILESc1ccc(Oc2ccc([C@@H]3CCCCN3)cc2Oc2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-3-9-19(10-4-1)25-22-15-14-18(21-13-7-8-16-24-21)17-23(22)26-20-11-5-2-6-12-20/h1-6,9-12,14-15,17,21,24H,7-8,13,16H2/t21-/m0/s1
InChIKeyFAZFFJQEVKNCDL-NRFANRHFSA-N
XLogP6.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,4-diphenoxyphenyl)pyrrolidine
CID 171196212
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
(2S)-2-phenylpiperidine
CID 10997356
(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
(2S)-2-(3-ethoxy-4-phenylmethoxyphenyl)piperidine
CID 171195092
2-(4-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117440861
(2S)-2-(3-phenylphenyl)piperidine;hydrochloride
CID 171195217
2-methoxy-5-piperidin-2-ylaniline
CID 117116326
(2R)-2-(3-phenoxyphenyl)azetidine
CID 171197153
(2R)-2-(3-iodophenyl)piperidine
CID 7048045
acetic acid;(3-piperidin-2-ylphenyl) acetate
CID 162323742

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-diphenoxyphenyl)piperidine?
The IUPAC name of (2S)-2-(3,4-diphenoxyphenyl)piperidine (CID 171194795) is (2S)-2-(3,4-diphenoxyphenyl)piperidine.
What is the SMILES notation for (2S)-2-(3,4-diphenoxyphenyl)piperidine?
The canonical SMILES for (2S)-2-(3,4-diphenoxyphenyl)piperidine is c1ccc(Oc2ccc([C@@H]3CCCCN3)cc2Oc2ccccc2)cc1.
What is the InChIKey of (2S)-2-(3,4-diphenoxyphenyl)piperidine?
The InChIKey is FAZFFJQEVKNCDL-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23NO2/c1-3-9-19(10-4-1)25-22-15-14-18(21-13-7-8-16-24-21)17-23(22)26-20-11-5-2-6-12-20/h1-6,9-12,14-15,17,21,24H,7-8,13,16H2/t21-/m0/s1.
What are the key properties of (2S)-2-(3,4-diphenoxyphenyl)piperidine?
(2S)-2-(3,4-diphenoxyphenyl)piperidine has a molecular weight of 345.44 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-diphenoxyphenyl)piperidine is sourced from PubChem (CID 171194795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).