ethyl 6-benzyl-1-methylpiperidine-2-carboxylate

C16H23NO2 — CID 10682845

IUPACethyl 6-benzyl-1-methylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCCC(Cc2ccccc2)N1C
InChIInChI=1S/C16H23NO2/c1-3-19-16(18)15-11-7-10-14(17(15)2)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3
InChIKeyBHGUHTUZQILRNU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.65
Rot. Bonds4

About ethyl 6-benzyl-1-methylpiperidine-2-carboxylate

ethyl 6-benzyl-1-methylpiperidine-2-carboxylate (PubChem CID 10682845) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 6-benzyl-1-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-benzyl-1-methylpiperidine-2-carboxylate
PubChem CID10682845
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 6-benzyl-1-methylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCCC(Cc2ccccc2)N1C
InChIInChI=1S/C16H23NO2/c1-3-19-16(18)15-11-7-10-14(17(15)2)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3
InChIKeyBHGUHTUZQILRNU-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidolate
CID 4839
Piperidolate Hydrochloride
CID 8520
Drofenine
CID 3166
Butetamate
CID 27368
Dioxaphetyl Butyrate
CID 48194
2-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
CID 72064
Propionic acid, 3-phenyl-, 2-dimethylaminoethyl ester, hydrochloride
CID 114244
Pentapiperide
CID 110942
[(1R)-1-cyclohexyl-3-phenylpropyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 445645
1-(3,3-Dimethyl-2-oxo-butyryl)-piperidine-2-carboxylic acid 3-phenyl-propyl ester
CID 9798935
1-(3,3-Dimethyl-2-oxo-butyryl)-piperidine-2-carboxylic acid 4-phenyl-1-(3-phenyl-propyl)-butyl ester
CID 9891805
1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid 1-phenethyl-3-phenyl-propyl ester
CID 15380471

Frequently Asked Questions

What is the IUPAC name of ethyl 6-benzyl-1-methylpiperidine-2-carboxylate?
The IUPAC name of ethyl 6-benzyl-1-methylpiperidine-2-carboxylate (CID 10682845) is ethyl 6-benzyl-1-methylpiperidine-2-carboxylate.
What is the SMILES notation for ethyl 6-benzyl-1-methylpiperidine-2-carboxylate?
The canonical SMILES for ethyl 6-benzyl-1-methylpiperidine-2-carboxylate is CCOC(=O)C1CCCC(Cc2ccccc2)N1C.
What is the InChIKey of ethyl 6-benzyl-1-methylpiperidine-2-carboxylate?
The InChIKey is BHGUHTUZQILRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-19-16(18)15-11-7-10-14(17(15)2)12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3.
What are the key properties of ethyl 6-benzyl-1-methylpiperidine-2-carboxylate?
ethyl 6-benzyl-1-methylpiperidine-2-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-benzyl-1-methylpiperidine-2-carboxylate is sourced from PubChem (CID 10682845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).