(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate

C24H23NO3 — CID 15225155

IUPAC(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate
SMILESO=C(Oc1ccc(Oc2ccccc2)cc1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H23NO3/c26-24(25-17-15-20(16-18-25)19-7-3-1-4-8-19)28-23-13-11-22(12-14-23)27-21-9-5-2-6-10-21/h1-14,20H,15-18H2
InChIKeyXDEZZDIYPHFLNN-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.86
Rot. Bonds4

About (4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate

(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate (PubChem CID 15225155) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is (4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate
PubChem CID15225155
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate
SMILESO=C(Oc1ccc(Oc2ccccc2)cc1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C24H23NO3/c26-24(25-17-15-20(16-18-25)19-7-3-1-4-8-19)28-23-13-11-22(12-14-23)27-21-9-5-2-6-10-21/h1-14,20H,15-18H2
InChIKeyXDEZZDIYPHFLNN-UHFFFAOYSA-N
XLogP5.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
(4-phenoxyphenyl) thiomorpholine-4-carboxylate
CID 15225159
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915
[1-[1-(4-phenoxyphenoxy)carbonylpiperidin-4-yl]oxycarbonylpiperidin-4-yl] 8-azaspiro[4.5]decane-8-carboxylate
CID 67800674
phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 141023786
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
phenyl 4-propylpiperidine-1-carboxylate
CID 64591892
phenyl 4-(methoxymethyl)piperidine-1-carboxylate
CID 63999252

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate?
The IUPAC name of (4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate (CID 15225155) is (4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for (4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate?
The canonical SMILES for (4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate is O=C(Oc1ccc(Oc2ccccc2)cc1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate?
The InChIKey is XDEZZDIYPHFLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c26-24(25-17-15-20(16-18-25)19-7-3-1-4-8-19)28-23-13-11-22(12-14-23)27-21-9-5-2-6-10-21/h1-14,20H,15-18H2.
What are the key properties of (4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate?
(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 15225155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).