ethyl 1-benzylpiperidine-2-carboxylate

C15H21NO2 — CID 2838690

IUPACethyl 1-benzylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)14-10-6-7-11-16(14)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3
InChIKeyWCGHYUMBCGJLQB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.60
Rot. Bonds4

About ethyl 1-benzylpiperidine-2-carboxylate

ethyl 1-benzylpiperidine-2-carboxylate (PubChem CID 2838690) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 1-benzylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzylpiperidine-2-carboxylate
PubChem CID2838690
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 1-benzylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)14-10-6-7-11-16(14)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3
InChIKeyWCGHYUMBCGJLQB-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-benzylpiperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzylpiperidine-2-carboxylate?
The IUPAC name of ethyl 1-benzylpiperidine-2-carboxylate (CID 2838690) is ethyl 1-benzylpiperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-benzylpiperidine-2-carboxylate?
The canonical SMILES for ethyl 1-benzylpiperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1ccccc1.
What is the InChIKey of ethyl 1-benzylpiperidine-2-carboxylate?
The InChIKey is WCGHYUMBCGJLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-18-15(17)14-10-6-7-11-16(14)12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3.
What are the key properties of ethyl 1-benzylpiperidine-2-carboxylate?
ethyl 1-benzylpiperidine-2-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzylpiperidine-2-carboxylate is sourced from PubChem (CID 2838690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).