ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride

C20H26Cl2N2O2 — CID 23619800

IUPACethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
SMILESCCOC(=O)C1(c2ccccc2)CCN(c2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H24N2O2.2ClH/c1-2-24-19(23)20(16-6-4-3-5-7-16)12-14-22(15-13-20)18-10-8-17(21)9-11-18;;/h3-11H,2,12-15,21H2,1H3;2*1H
InChIKeyPDVCMZYSRLVIFE-UHFFFAOYSA-N
MW397.35 g/mol
LogP4.21
Rot. Bonds4

About ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride

ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride (PubChem CID 23619800) has the molecular formula C20H26Cl2N2O2 and a molecular weight of 397.35 g/mol. Its IUPAC name is ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride.

Molecular Properties

Compound Nameethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
PubChem CID23619800
Molecular FormulaC20H26Cl2N2O2
Molecular Weight397.35 g/mol
Exact Mass396.14
IUPAC Nameethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
SMILESCCOC(=O)C1(c2ccccc2)CCN(c2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H24N2O2.2ClH/c1-2-24-19(23)20(16-6-4-3-5-7-16)12-14-22(15-13-20)18-10-8-17(21)9-11-18;;/h3-11H,2,12-15,21H2,1H3;2*1H
InChIKeyPDVCMZYSRLVIFE-UHFFFAOYSA-N
XLogP4.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride 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

ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 138398169
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride
CID 157064125
ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
CID 70621572
ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide
CID 138396780
ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
CID 3040375
ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
CID 26013
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
ethyl 1-[3-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxylate
CID 141095818
ethyl 1-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 126478028
ethyl 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 90481494

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride?
The IUPAC name of ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride (CID 23619800) is ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride.
What is the SMILES notation for ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride?
The canonical SMILES for ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride is CCOC(=O)C1(c2ccccc2)CCN(c2ccc(N)cc2)CC1.Cl.Cl.
What is the InChIKey of ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride?
The InChIKey is PDVCMZYSRLVIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.2ClH/c1-2-24-19(23)20(16-6-4-3-5-7-16)12-14-22(15-13-20)18-10-8-17(21)9-11-18;;/h3-11H,2,12-15,21H2,1H3;2*1H.
What are the key properties of ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride?
ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride has a molecular weight of 397.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride is sourced from PubChem (CID 23619800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).