ethyl 5-benzyl-1-methylpiperidine-3-carboxylate

C16H23NO2 — CID 66614658

IUPACethyl 5-benzyl-1-methylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CC(Cc2ccccc2)CN(C)C1
InChIInChI=1S/C16H23NO2/c1-3-19-16(18)15-10-14(11-17(2)12-15)9-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3
InChIKeyQBLCJVDXMLSSRL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.36
Rot. Bonds4

About ethyl 5-benzyl-1-methylpiperidine-3-carboxylate

ethyl 5-benzyl-1-methylpiperidine-3-carboxylate (PubChem CID 66614658) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 5-benzyl-1-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzyl-1-methylpiperidine-3-carboxylate
PubChem CID66614658
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 5-benzyl-1-methylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CC(Cc2ccccc2)CN(C)C1
InChIInChI=1S/C16H23NO2/c1-3-19-16(18)15-10-14(11-17(2)12-15)9-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3
InChIKeyQBLCJVDXMLSSRL-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

lithium;5-benzyl-1-methylpiperidine-3-carboxylic acid;1-(5-benzyl-1-methylpiperidin-3-yl)ethanone;hydroxide
CID 159845430
ethyl 3-[(4-aminophenyl)methyl]cyclobutane-1-carboxylate
CID 59464168
ethyl (3R,5S)-1-benzyl-5-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 71537980
ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate
CID 139211005
1-O-benzyl 3-O-ethyl (3R,5R)-5-hydroxypiperidine-1,3-dicarboxylate
CID 86318907
1-O-benzyl 3-O-ethyl (3S,5R)-5-hydroxypiperidine-1,3-dicarboxylate
CID 86318908
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
ethyl (3S,4aR,8aR)-1-benzyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylate
CID 42624702
1-O-benzyl 3-O-ethyl (3S,5S)-5-fluoropiperidine-1,3-dicarboxylate
CID 99770766
ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate
CID 121454489
ethyl 1-benzylpyrrolidine-3-carboxylate;formonitrile
CID 143159635
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591

Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzyl-1-methylpiperidine-3-carboxylate?
The IUPAC name of ethyl 5-benzyl-1-methylpiperidine-3-carboxylate (CID 66614658) is ethyl 5-benzyl-1-methylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 5-benzyl-1-methylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 5-benzyl-1-methylpiperidine-3-carboxylate is CCOC(=O)C1CC(Cc2ccccc2)CN(C)C1.
What is the InChIKey of ethyl 5-benzyl-1-methylpiperidine-3-carboxylate?
The InChIKey is QBLCJVDXMLSSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-19-16(18)15-10-14(11-17(2)12-15)9-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3.
What are the key properties of ethyl 5-benzyl-1-methylpiperidine-3-carboxylate?
ethyl 5-benzyl-1-methylpiperidine-3-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzyl-1-methylpiperidine-3-carboxylate is sourced from PubChem (CID 66614658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).