benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate

C25H25NO2 — CID 52949668

IUPACbenzyl 4-(4-phenylphenyl)piperidine-4-carboxylate
SMILESO=C(OCc1ccccc1)C1(c2ccc(-c3ccccc3)cc2)CCNCC1
InChIInChI=1S/C25H25NO2/c27-24(28-19-20-7-3-1-4-8-20)25(15-17-26-18-16-25)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-14,26H,15-19H2
InChIKeyMOEDYMLNDOBXOW-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.72
Rot. Bonds5

About benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate

benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate (PubChem CID 52949668) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-phenylphenyl)piperidine-4-carboxylate
PubChem CID52949668
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Namebenzyl 4-(4-phenylphenyl)piperidine-4-carboxylate
SMILESO=C(OCc1ccccc1)C1(c2ccc(-c3ccccc3)cc2)CCNCC1
InChIInChI=1S/C25H25NO2/c27-24(28-19-20-7-3-1-4-8-20)25(15-17-26-18-16-25)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-14,26H,15-19H2
InChIKeyMOEDYMLNDOBXOW-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate?
The IUPAC name of benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate (CID 52949668) is benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate.
What is the SMILES notation for benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate?
The canonical SMILES for benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate is O=C(OCc1ccccc1)C1(c2ccc(-c3ccccc3)cc2)CCNCC1.
What is the InChIKey of benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate?
The InChIKey is MOEDYMLNDOBXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c27-24(28-19-20-7-3-1-4-8-20)25(15-17-26-18-16-25)23-13-11-22(12-14-23)21-9-5-2-6-10-21/h1-14,26H,15-19H2.
What are the key properties of benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate?
benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate has a molecular weight of 371.48 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(4-phenylphenyl)piperidine-4-carboxylate is sourced from PubChem (CID 52949668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).