methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate

C14H17F2NO2 — CID 113219671

IUPACmethyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1Cc1cccc(F)c1F
InChIInChI=1S/C14H17F2NO2/c1-19-14(18)12-7-2-3-8-17(12)9-10-5-4-6-11(15)13(10)16/h4-6,12H,2-3,7-9H2,1H3
InChIKeyFKUVJYMODBHVLI-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.49
Rot. Bonds3

About methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate

methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate (PubChem CID 113219671) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
PubChem CID113219671
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Namemethyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1Cc1cccc(F)c1F
InChIInChI=1S/C14H17F2NO2/c1-19-14(18)12-7-2-3-8-17(12)9-10-5-4-6-11(15)13(10)16/h4-6,12H,2-3,7-9H2,1H3
InChIKeyFKUVJYMODBHVLI-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(3-cyano-2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 103911994
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
methyl 1-[(3-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 103886139
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
CID 79833485
methyl (2S)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 30980101
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903
methyl (2R)-1-[(2-nitrophenyl)methyl]piperidine-2-carboxylate
CID 79833556
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-(2,1,3-benzothiadiazol-4-ylmethyl)piperidine-2-carboxylate
CID 75428183
methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
CID 78992339
1-[(3-fluoro-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112616195

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate (CID 113219671) is methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1Cc1cccc(F)c1F.
What is the InChIKey of methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate?
The InChIKey is FKUVJYMODBHVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-19-14(18)12-7-2-3-8-17(12)9-10-5-4-6-11(15)13(10)16/h4-6,12H,2-3,7-9H2,1H3.
What are the key properties of methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate?
methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate has a molecular weight of 269.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 113219671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).