benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate

C28H31NO2 — CID 25223025

IUPACbenzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate
SMILESO=C(OCc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H31NO2/c30-28(31-22-23-10-4-1-5-11-23)26-16-19-29(20-17-26)21-18-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-27H,16-22H2
InChIKeyOBKKTRGYPUYVOP-UHFFFAOYSA-N
MW413.56 g/mol
LogP5.66
Rot. Bonds8

About benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate

benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate (PubChem CID 25223025) has the molecular formula C28H31NO2 and a molecular weight of 413.56 g/mol. Its IUPAC name is benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate
PubChem CID25223025
Molecular FormulaC28H31NO2
Molecular Weight413.56 g/mol
Exact Mass413.24
IUPAC Namebenzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate
SMILESO=C(OCc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H31NO2/c30-28(31-22-23-10-4-1-5-11-23)26-16-19-29(20-17-26)21-18-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-27H,16-22H2
InChIKeyOBKKTRGYPUYVOP-UHFFFAOYSA-N
XLogP5.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 1-(3-phenylbutyl)piperidine-4-carboxylate
CID 142003970
1-(3,3-diphenylpropyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25223132
benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 166903939
benzyl 1-cyanopiperidine-4-carboxylate
CID 156541326
benzyl (3S)-1-acetylpyrrolidine-3-carboxylate
CID 157025963
benzyl 1-propanoylpiperidine-4-carboxylate
CID 59047382
1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 22254650
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
1-(3,3-diphenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-4-carboxamide
CID 25224578
benzyl 1-diphenoxyphosphanylpiperidine-4-carboxylate
CID 163210413
benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
CID 146597094
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 25205927

Frequently Asked Questions

What is the IUPAC name of benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate?
The IUPAC name of benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate (CID 25223025) is benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate.
What is the SMILES notation for benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate?
The canonical SMILES for benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate is O=C(OCc1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate?
The InChIKey is OBKKTRGYPUYVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO2/c30-28(31-22-23-10-4-1-5-11-23)26-16-19-29(20-17-26)21-18-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,26-27H,16-22H2.
What are the key properties of benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate?
benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate has a molecular weight of 413.56 g/mol, XLogP of 5.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate is sourced from PubChem (CID 25223025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).