benzyl (2S)-2-methylpiperidine-4-carboxylate

C14H19NO2 — CID 58583746

IUPACbenzyl (2S)-2-methylpiperidine-4-carboxylate
SMILESC[C@H]1CC(C(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C14H19NO2/c1-11-9-13(7-8-15-11)14(16)17-10-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13?/m0/s1
InChIKeyDUMIPAJZHTXOPH-AMGKYWFPSA-N
MW233.31 g/mol
LogP2.12
Rot. Bonds3

About benzyl (2S)-2-methylpiperidine-4-carboxylate

benzyl (2S)-2-methylpiperidine-4-carboxylate (PubChem CID 58583746) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is benzyl (2S)-2-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-methylpiperidine-4-carboxylate
PubChem CID58583746
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namebenzyl (2S)-2-methylpiperidine-4-carboxylate
SMILESC[C@H]1CC(C(=O)OCc2ccccc2)CCN1
InChIInChI=1S/C14H19NO2/c1-11-9-13(7-8-15-11)14(16)17-10-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13?/m0/s1
InChIKeyDUMIPAJZHTXOPH-AMGKYWFPSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl (2S)-2-methylpiperidine-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

dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
thiophen-2-ylmethyl 2-methylpiperidine-4-carboxylate
CID 106743801
benzyl piperidine-4-carboxylate;ethanol
CID 158740080
trans-(1S,3S)-3-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 68554309
benzyl 3-methoxycyclopentane-1-carboxylate
CID 175265399
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
cis-benzyl (1S,3R)-3-hydroxycyclohexane-1-carboxylate
CID 69436465
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
benzyl 3-(propan-2-ylideneamino)cyclopentane-1-carboxylate
CID 23533654
benzyl spiro[2.5]octane-6-carboxylate
CID 66817825
benzyl (3S,5S)-5-methyloxolane-3-carboxylate
CID 102519565

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-methylpiperidine-4-carboxylate?
The IUPAC name of benzyl (2S)-2-methylpiperidine-4-carboxylate (CID 58583746) is benzyl (2S)-2-methylpiperidine-4-carboxylate.
What is the SMILES notation for benzyl (2S)-2-methylpiperidine-4-carboxylate?
The canonical SMILES for benzyl (2S)-2-methylpiperidine-4-carboxylate is C[C@H]1CC(C(=O)OCc2ccccc2)CCN1.
What is the InChIKey of benzyl (2S)-2-methylpiperidine-4-carboxylate?
The InChIKey is DUMIPAJZHTXOPH-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-9-13(7-8-15-11)14(16)17-10-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3/t11-,13?/m0/s1.
What are the key properties of benzyl (2S)-2-methylpiperidine-4-carboxylate?
benzyl (2S)-2-methylpiperidine-4-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-methylpiperidine-4-carboxylate is sourced from PubChem (CID 58583746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).