phenyl 1-(2-phenylethyl)piperidine-4-carboxylate

C20H23NO2 — CID 102339946

IUPACphenyl 1-(2-phenylethyl)piperidine-4-carboxylate
SMILESO=C(Oc1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H23NO2/c22-20(23-19-9-5-2-6-10-19)18-12-15-21(16-13-18)14-11-17-7-3-1-4-8-17/h1-10,18H,11-16H2
InChIKeyKBGPXZNTLNWBPP-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.55
Rot. Bonds5

About phenyl 1-(2-phenylethyl)piperidine-4-carboxylate

phenyl 1-(2-phenylethyl)piperidine-4-carboxylate (PubChem CID 102339946) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is phenyl 1-(2-phenylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namephenyl 1-(2-phenylethyl)piperidine-4-carboxylate
PubChem CID102339946
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namephenyl 1-(2-phenylethyl)piperidine-4-carboxylate
SMILESO=C(Oc1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H23NO2/c22-20(23-19-9-5-2-6-10-19)18-12-15-21(16-13-18)14-11-17-7-3-1-4-8-17/h1-10,18H,11-16H2
InChIKeyKBGPXZNTLNWBPP-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
CID 18919929
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
CID 25385977
1-azabicyclo[2.2.2]octane;phenyl cyclopropanecarboxylate
CID 174407037
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate
CID 170863719
1-[2-(4-phenacyloxyphenyl)ethyl]piperidine-4-carboxylic acid
CID 141156895
1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479402
[4-[2-[4-(phenoxymethoxy)phenyl]ethyl]phenyl] cyclohexanecarboxylate
CID 20724203
ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate
CID 22668702

Frequently Asked Questions

What is the IUPAC name of phenyl 1-(2-phenylethyl)piperidine-4-carboxylate?
The IUPAC name of phenyl 1-(2-phenylethyl)piperidine-4-carboxylate (CID 102339946) is phenyl 1-(2-phenylethyl)piperidine-4-carboxylate.
What is the SMILES notation for phenyl 1-(2-phenylethyl)piperidine-4-carboxylate?
The canonical SMILES for phenyl 1-(2-phenylethyl)piperidine-4-carboxylate is O=C(Oc1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of phenyl 1-(2-phenylethyl)piperidine-4-carboxylate?
The InChIKey is KBGPXZNTLNWBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-20(23-19-9-5-2-6-10-19)18-12-15-21(16-13-18)14-11-17-7-3-1-4-8-17/h1-10,18H,11-16H2.
What are the key properties of phenyl 1-(2-phenylethyl)piperidine-4-carboxylate?
phenyl 1-(2-phenylethyl)piperidine-4-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 1-(2-phenylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 102339946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).