ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride

C35H38ClNO2 — CID 70621572

IUPACethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C35H37NO2.ClH/c1-2-38-33(37)34(29-15-7-3-8-16-29)23-26-36(27-24-34)28-25-35(30-17-9-4-10-18-30,31-19-11-5-12-20-31)32-21-13-6-14-22-32;/h3-22H,2,23-28H2,1H3;1H
InChIKeyBRPALSSDJKMXGY-UHFFFAOYSA-N
MW540.15 g/mol
LogP7.43
Rot. Bonds9

About ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride

ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride (PubChem CID 70621572) has the molecular formula C35H38ClNO2 and a molecular weight of 540.15 g/mol. Its IUPAC name is ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
PubChem CID70621572
Molecular FormulaC35H38ClNO2
Molecular Weight540.15 g/mol
Exact Mass539.26
IUPAC Nameethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C35H37NO2.ClH/c1-2-38-33(37)34(29-15-7-3-8-16-29)23-26-36(27-24-34)28-25-35(30-17-9-4-10-18-30,31-19-11-5-12-20-31)32-21-13-6-14-22-32;/h3-22H,2,23-28H2,1H3;1H
InChIKeyBRPALSSDJKMXGY-UHFFFAOYSA-N
XLogP7.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.15
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride 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

azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid
CID 173450342
ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 138398169
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
ethyl 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 90481494
ethyl 1-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 126478028
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
CID 23619800
ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate
CID 20833920
ethyl 1-[3-(3-bromo-4-methylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 90485325
oxalic acid;[4-phenyl-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol
CID 70619039
ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
CID 26013
ethyl 1-[2-(4-fluoroanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxylate
CID 5021379

Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride (CID 70621572) is ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride is CCOC(=O)C1(c2ccccc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.Cl.
What is the InChIKey of ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride?
The InChIKey is BRPALSSDJKMXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37NO2.ClH/c1-2-38-33(37)34(29-15-7-3-8-16-29)23-26-36(27-24-34)28-25-35(30-17-9-4-10-18-30,31-19-11-5-12-20-31)32-21-13-6-14-22-32;/h3-22H,2,23-28H2,1H3;1H.
What are the key properties of ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride?
ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride has a molecular weight of 540.15 g/mol, XLogP of 7.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 70621572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).