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

C15H20BrNO2 — CID 2838481

IUPACethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO2/c1-2-19-15(18)14-5-3-4-10-17(14)11-12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeySOPZEFAULVAYFG-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.37
Rot. Bonds4

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

ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate (PubChem CID 2838481) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate
PubChem CID2838481
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Nameethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO2/c1-2-19-15(18)14-5-3-4-10-17(14)11-12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3
InChIKeySOPZEFAULVAYFG-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-[(4-bromophenyl)methyl]piperidine-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

Related Compounds

ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 62028427
ethyl 1-[(3-bromo-4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 78915187
ethyl 1-[(5-bromo-3-pyridinyl)methyl]piperidine-2-carboxylate
CID 113222665
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
2-ethoxyethyl (2S)-1-benzylpiperidine-2-carboxylate
CID 97216470
ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate
CID 40633764
ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 7446357
ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate
CID 62245302
ethyl (2R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 792510

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate (CID 2838481) is ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1ccc(Br)cc1.
What is the InChIKey of ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate?
The InChIKey is SOPZEFAULVAYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-2-19-15(18)14-5-3-4-10-17(14)11-12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate?
ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate has a molecular weight of 326.23 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 2838481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).