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

C26H27NO4 — CID 70687928

IUPAC(4-methoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESCOc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H27NO4/c1-30-23-12-14-24(15-13-23)31-25(28)27-18-16-22(17-19-27)26(29,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22,29H,16-19H2,1H3
InChIKeyPCZDUACBEPYIDU-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.84
Rot. Bonds5

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

(4-methoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (PubChem CID 70687928) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is (4-methoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
PubChem CID70687928
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Name(4-methoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
SMILESCOc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C26H27NO4/c1-30-23-12-14-24(15-13-23)31-25(28)27-18-16-22(17-19-27)26(29,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22,29H,16-19H2,1H3
InChIKeyPCZDUACBEPYIDU-UHFFFAOYSA-N
XLogP4.84
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(Diethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 66561565
(4-Methylsulfonylphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 70692113
[4-(Dimethylsulfamoyl)phenyl] 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 70696293
(4-methoxyphenyl) (3Z,5Z)-3,5-dibenzylidene-4-oxopiperidine-1-carboxylate
CID 45280981
1-Piperidinecarboxylic acid (4-phenylphenyl) ester
CID 2236013
(4-phenoxyphenyl) N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylcarbamate
CID 11111618
(1-(3-Phenoxypropyl)piperidin-4-yl)diphenylmethanol 2,2,2-trifluoroacetate
CID 53300853
(4-Ethoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 70683662
Phenyl 4-(2-benzylphenyl)piperidine-1-carboxylate
CID 12542640
(1-(4Methoxyphenethyl) piperidin-4-yl)diphenylmethanol
CID 14851349
[1-[(3-Methoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 14851350
[1-(3-Phenoxypropyl)-4-piperidinyl]-diphenylmethanol
CID 23036271

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of (4-methoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate (CID 70687928) is (4-methoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for (4-methoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for (4-methoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is COc1ccc(OC(=O)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
The InChIKey is PCZDUACBEPYIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-30-23-12-14-24(15-13-23)31-25(28)27-18-16-22(17-19-27)26(29,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22,29H,16-19H2,1H3.
What are the key properties of (4-methoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate?
(4-methoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate has a molecular weight of 417.51 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 70687928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).