phenyl 4-phenoxypiperidine-1-carboxylate

C18H19NO3 — CID 110396730

IUPACphenyl 4-phenoxypiperidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C18H19NO3/c20-18(22-16-9-5-2-6-10-16)19-13-11-17(12-14-19)21-15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKeyRLUQSJJOZLKVEE-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.73
Rot. Bonds3

About phenyl 4-phenoxypiperidine-1-carboxylate

phenyl 4-phenoxypiperidine-1-carboxylate (PubChem CID 110396730) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is phenyl 4-phenoxypiperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-phenoxypiperidine-1-carboxylate
PubChem CID110396730
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namephenyl 4-phenoxypiperidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C18H19NO3/c20-18(22-16-9-5-2-6-10-16)19-13-11-17(12-14-19)21-15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKeyRLUQSJJOZLKVEE-UHFFFAOYSA-N
XLogP3.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-phenoxypiperidine-1-carboxylate?
The IUPAC name of phenyl 4-phenoxypiperidine-1-carboxylate (CID 110396730) is phenyl 4-phenoxypiperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-phenoxypiperidine-1-carboxylate?
The canonical SMILES for phenyl 4-phenoxypiperidine-1-carboxylate is O=C(Oc1ccccc1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-phenoxypiperidine-1-carboxylate?
The InChIKey is RLUQSJJOZLKVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-18(22-16-9-5-2-6-10-16)19-13-11-17(12-14-19)21-15-7-3-1-4-8-15/h1-10,17H,11-14H2.
What are the key properties of phenyl 4-phenoxypiperidine-1-carboxylate?
phenyl 4-phenoxypiperidine-1-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-phenoxypiperidine-1-carboxylate is sourced from PubChem (CID 110396730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).