(4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate

C27H29NO4 — CID 70683662

IUPAC(4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESCCOc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H29NO4/c1-2-31-24-13-15-25(16-14-24)32-26(29)28-19-17-23(18-20-28)27(30,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,30H,2,17-20H2,1H3
InChIKeyRJRHMNWHEVJCCC-UHFFFAOYSA-N
MW431.53 g/mol
LogP5.23
Rot. Bonds6

About (4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate

(4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (PubChem CID 70683662) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is (4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
PubChem CID70683662
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC Name(4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESCCOc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C27H29NO4/c1-2-31-24-13-15-25(16-14-24)32-26(29)28-19-17-23(18-20-28)27(30,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,30H,2,17-20H2,1H3
InChIKeyRJRHMNWHEVJCCC-UHFFFAOYSA-N
XLogP5.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of (4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (CID 70683662) is (4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is CCOc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of (4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The InChIKey is RJRHMNWHEVJCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4/c1-2-31-24-13-15-25(16-14-24)32-26(29)28-19-17-23(18-20-28)27(30,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,30H,2,17-20H2,1H3.
What are the key properties of (4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
(4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate has a molecular weight of 431.53 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 70683662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).