ethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride

C20H24ClNO2 — CID 52947544

IUPACethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccc(-c3ccccc3)cc2)CCNCC1.Cl
InChIInChI=1S/C20H23NO2.ClH/c1-2-23-19(22)20(12-14-21-15-13-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16;/h3-11,21H,2,12-15H2,1H3;1H
InChIKeyOLKJYHQIOMHAQB-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.96
Rot. Bonds4

About ethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride

ethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride (PubChem CID 52947544) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is ethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride
PubChem CID52947544
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Nameethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccc(-c3ccccc3)cc2)CCNCC1.Cl
InChIInChI=1S/C20H23NO2.ClH/c1-2-23-19(22)20(12-14-21-15-13-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16;/h3-11,21H,2,12-15H2,1H3;1H
InChIKeyOLKJYHQIOMHAQB-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride (CID 52947544) is ethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride is CCOC(=O)C1(c2ccc(-c3ccccc3)cc2)CCNCC1.Cl.
What is the InChIKey of ethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride?
The InChIKey is OLKJYHQIOMHAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.ClH/c1-2-23-19(22)20(12-14-21-15-13-20)18-10-8-17(9-11-18)16-6-4-3-5-7-16;/h3-11,21H,2,12-15H2,1H3;1H.
What are the key properties of ethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride?
ethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 52947544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).