ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide

C26H34BrNO2 — CID 138396780

IUPACethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide
SMILESBr.CCOC(=O)C1(c2ccccc2)CCN(C2(c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C26H33NO2.BrH/c1-2-29-24(28)25(22-12-6-3-7-13-22)18-20-27(21-19-25)26(16-10-5-11-17-26)23-14-8-4-9-15-23;/h3-4,6-9,12-15H,2,5,10-11,16-21H2,1H3;1H
InChIKeyOLPHDIMRHSRJLO-UHFFFAOYSA-N
MW472.47 g/mol
LogP6.02
Rot. Bonds5

About ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide

ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide (PubChem CID 138396780) has the molecular formula C26H34BrNO2 and a molecular weight of 472.47 g/mol. Its IUPAC name is ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide.

Molecular Properties

Compound Nameethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide
PubChem CID138396780
Molecular FormulaC26H34BrNO2
Molecular Weight472.47 g/mol
Exact Mass471.18
IUPAC Nameethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide
SMILESBr.CCOC(=O)C1(c2ccccc2)CCN(C2(c3ccccc3)CCCCC2)CC1
InChIInChI=1S/C26H33NO2.BrH/c1-2-29-24(28)25(22-12-6-3-7-13-22)18-20-27(21-19-25)26(16-10-5-11-17-26)23-14-8-4-9-15-23;/h3-4,6-9,12-15H,2,5,10-11,16-21H2,1H3;1H
InChIKeyOLPHDIMRHSRJLO-UHFFFAOYSA-N
XLogP6.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide?
The IUPAC name of ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide (CID 138396780) is ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide.
What is the SMILES notation for ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide?
The canonical SMILES for ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide is Br.CCOC(=O)C1(c2ccccc2)CCN(C2(c3ccccc3)CCCCC2)CC1.
What is the InChIKey of ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide?
The InChIKey is OLPHDIMRHSRJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO2.BrH/c1-2-29-24(28)25(22-12-6-3-7-13-22)18-20-27(21-19-25)26(16-10-5-11-17-26)23-14-8-4-9-15-23;/h3-4,6-9,12-15H,2,5,10-11,16-21H2,1H3;1H.
What are the key properties of ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide?
ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide has a molecular weight of 472.47 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide is sourced from PubChem (CID 138396780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).