methyl 1-benzylpiperidine-4-carboxylate

C14H19NO2 — CID 11436222

IUPACmethyl 1-benzylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyMXOZSPRDEKPWCW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.07
Rot. Bonds3

About methyl 1-benzylpiperidine-4-carboxylate

methyl 1-benzylpiperidine-4-carboxylate (PubChem CID 11436222) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 1-benzylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzylpiperidine-4-carboxylate
PubChem CID11436222
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 1-benzylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H19NO2/c1-17-14(16)13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyMXOZSPRDEKPWCW-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-benzylpiperidine-4-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

Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 98909
1-Benzyl-3-methyl-4-piperidone
CID 560965
Ethyl 1-cinnamylpiperidine-4-carboxylate
CID 782814
1-Benzyl-3,5-dimethylpiperidin-4-one
CID 22278920
3-[Benzyl-(2-Methoxycarbonyl-Ethyl)-Amino]-Propionic Acid Methyl Ester
CID 69926
1-Benzylpiperidine-4-carbaldehyde
CID 89584
Ethyl 1-benzylpiperidine-4-carboxylate
CID 90423
Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride
CID 2723880
Ethyl 1-(4-biphenylylmethyl)-4-piperidinecarboxylate
CID 765234
Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate
CID 419705
Methyl 1-benzylpyrrolidine-3-carboxylate
CID 4610751
N-(3-Methoxy-2-methyl-3-oxopropyl)-N-(phenylmethyl)-beta-alanine ethyl ester
CID 98098

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-benzylpiperidine-4-carboxylate (CID 11436222) is methyl 1-benzylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-benzylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-benzylpiperidine-4-carboxylate is COC(=O)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of methyl 1-benzylpiperidine-4-carboxylate?
The InChIKey is MXOZSPRDEKPWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)13-7-9-15(10-8-13)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3.
What are the key properties of methyl 1-benzylpiperidine-4-carboxylate?
methyl 1-benzylpiperidine-4-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzylpiperidine-4-carboxylate is sourced from PubChem (CID 11436222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).