ethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate

C21H25NO2 — CID 2838651

IUPACethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-2-24-21(23)20-10-6-7-15-22(20)16-17-11-13-19(14-12-17)18-8-4-3-5-9-18/h3-5,8-9,11-14,20H,2,6-7,10,15-16H2,1H3
InChIKeyHFIVLNZCVWBGNM-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.27
Rot. Bonds5

About ethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate

ethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate (PubChem CID 2838651) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is ethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate
PubChem CID2838651
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Nameethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H25NO2/c1-2-24-21(23)20-10-6-7-15-22(20)16-17-11-13-19(14-12-17)18-8-4-3-5-9-18/h3-5,8-9,11-14,20H,2,6-7,10,15-16H2,1H3
InChIKeyHFIVLNZCVWBGNM-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate (CID 2838651) is ethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate?
The InChIKey is HFIVLNZCVWBGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-24-21(23)20-10-6-7-15-22(20)16-17-11-13-19(14-12-17)18-8-4-3-5-9-18/h3-5,8-9,11-14,20H,2,6-7,10,15-16H2,1H3.
What are the key properties of ethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate?
ethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-phenylphenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 2838651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).