methyl 1-(2-fluorophenyl)piperidine-4-carboxylate

C13H16FNO2 — CID 117028042

IUPACmethyl 1-(2-fluorophenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)10-6-8-15(9-7-10)12-5-3-2-4-11(12)14/h2-5,10H,6-9H2,1H3
InChIKeyGLJIZSHFDGCQJE-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.22
Rot. Bonds2

About methyl 1-(2-fluorophenyl)piperidine-4-carboxylate

methyl 1-(2-fluorophenyl)piperidine-4-carboxylate (PubChem CID 117028042) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl 1-(2-fluorophenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-fluorophenyl)piperidine-4-carboxylate
PubChem CID117028042
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl 1-(2-fluorophenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)10-6-8-15(9-7-10)12-5-3-2-4-11(12)14/h2-5,10H,6-9H2,1H3
InChIKeyGLJIZSHFDGCQJE-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17152653
methyl 1-[2-(difluoromethylsulfonyl)phenyl]piperidine-4-carboxylate
CID 133275055
1-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 17152731
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
methyl 1-[2-cyano-5-(2-fluorophenyl)phenyl]piperidine-4-carboxylate
CID 171037847
1-(2-fluorophenyl)-4-methoxypiperidine
CID 15403847
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
methyl 1-(4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 143163523
1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17152735
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
methyl 1-(2-bromophenyl)pyrrolidine-3-carboxylate
CID 117028374
1-(2-fluorophenyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 17152616

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-fluorophenyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-fluorophenyl)piperidine-4-carboxylate (CID 117028042) is methyl 1-(2-fluorophenyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-fluorophenyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-fluorophenyl)piperidine-4-carboxylate is COC(=O)C1CCN(c2ccccc2F)CC1.
What is the InChIKey of methyl 1-(2-fluorophenyl)piperidine-4-carboxylate?
The InChIKey is GLJIZSHFDGCQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-13(16)10-6-8-15(9-7-10)12-5-3-2-4-11(12)14/h2-5,10H,6-9H2,1H3.
What are the key properties of methyl 1-(2-fluorophenyl)piperidine-4-carboxylate?
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-fluorophenyl)piperidine-4-carboxylate is sourced from PubChem (CID 117028042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).