[1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate

C29H34N2O2 — CID 58514272

IUPAC[1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate
SMILESCN(CCN1CCC(OC(=O)Cc2ccccc2-c2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C29H34N2O2/c1-30(23-24-10-4-2-5-11-24)20-21-31-18-16-27(17-19-31)33-29(32)22-26-14-8-9-15-28(26)25-12-6-3-7-13-25/h2-15,27H,16-23H2,1H3
InChIKeyCOVZYPVFJOLRKH-UHFFFAOYSA-N
MW442.60 g/mol
LogP5.04
Rot. Bonds9

About [1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate

[1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate (PubChem CID 58514272) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is [1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate.

Molecular Properties

Compound Name[1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate
PubChem CID58514272
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC Name[1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate
SMILESCN(CCN1CCC(OC(=O)Cc2ccccc2-c2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C29H34N2O2/c1-30(23-24-10-4-2-5-11-24)20-21-31-18-16-27(17-19-31)33-29(32)22-26-14-8-9-15-28(26)25-12-6-3-7-13-25/h2-15,27H,16-23H2,1H3
InChIKeyCOVZYPVFJOLRKH-UHFFFAOYSA-N
XLogP5.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

(1-butylpiperidin-4-yl) 2-(2-phenylphenyl)acetate
CID 59600654
ethane;[1-(4-oxopentyl)piperidin-4-yl] 2-(2-phenylphenyl)acetate
CID 160928471
1-[[4-[methyl-[2-[4-[2-(2-phenylphenyl)acetyl]oxypiperidin-1-yl]ethyl]carbamoyl]phenyl]methyl]piperidine-4-carboxylic acid
CID 58201590
[1-[2-[methyl-[6-[N-methyl-4-[2-[methyl-[3-[methyl(propanoyl)amino]propyl]amino]-2-oxoethyl]anilino]hexanoyl]amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate
CID 161033179
[1-[2-[7-[4-[4-[(2-methoxyacetyl)-methylamino]butyl-methylcarbamoyl]phenyl]heptanoyl-methylamino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate
CID 159239128
(1-methylpiperidin-4-yl) 2-(3-hydroxy-2-phenylphenyl)acetate
CID 174486907
benzyl N-methyl-N-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamate
CID 58058123
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
[1-[9-[(3,5-dichloro-4-hydroxyphenyl)methyl-methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 44610652
[1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624927
4-[[[4-[methyl-[2-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]ethyl]carbamoyl]phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 66671694
[1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624858

Frequently Asked Questions

What is the IUPAC name of [1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate?
The IUPAC name of [1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate (CID 58514272) is [1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate.
What is the SMILES notation for [1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate?
The canonical SMILES for [1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate is CN(CCN1CCC(OC(=O)Cc2ccccc2-c2ccccc2)CC1)Cc1ccccc1.
What is the InChIKey of [1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate?
The InChIKey is COVZYPVFJOLRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-30(23-24-10-4-2-5-11-24)20-21-31-18-16-27(17-19-31)33-29(32)22-26-14-8-9-15-28(26)25-12-6-3-7-13-25/h2-15,27H,16-23H2,1H3.
What are the key properties of [1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate?
[1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate has a molecular weight of 442.60 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[benzyl(methyl)amino]ethyl]piperidin-4-yl] 2-(2-phenylphenyl)acetate is sourced from PubChem (CID 58514272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).