methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate

C14H18FNO2 — CID 59023366

IUPACmethyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C14H18FNO2/c1-10-9-12(3-4-13(10)15)16-7-5-11(6-8-16)14(17)18-2/h3-4,9,11H,5-8H2,1-2H3
InChIKeyLMAMKMHDDDVSDS-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.52
Rot. Bonds2

About methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate

methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate (PubChem CID 59023366) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate
PubChem CID59023366
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Namemethyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2ccc(F)c(C)c2)CC1
InChIInChI=1S/C14H18FNO2/c1-10-9-12(3-4-13(10)15)16-7-5-11(6-8-16)14(17)18-2/h3-4,9,11H,5-8H2,1-2H3
InChIKeyLMAMKMHDDDVSDS-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methyl 1-(3,4-difluorophenyl)piperidine-4-carboxylate
CID 144968521
methyl 1-(3-chloro-4-methylphenyl)piperidine-4-carboxylate
CID 117028048
[1-(4-fluoro-3-methylphenyl)piperidin-4-yl] methyl carbonate
CID 68802323
methyl 1-(4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 143163523
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
methyl 1-(3-methyl-4-nitrophenyl)pyrrolidine-3-carboxylate
CID 112731130
methyl 1-(4-fluoro-5-methyl-2-nitrophenyl)piperidine-4-carboxylate
CID 103594323
dimethyl (2S,4S)-1-(4-fluoro-3-methylbenzoyl)piperidine-2,4-dicarboxylate
CID 129471513
methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 62005683
methyl 1-(4-amino-3-ethoxyphenyl)piperidine-4-carboxylate
CID 169094237
methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate
CID 87174001
methyl 1-(4-isocyanatophenyl)piperidine-4-carboxylate
CID 169355180

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate (CID 59023366) is methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate is COC(=O)C1CCN(c2ccc(F)c(C)c2)CC1.
What is the InChIKey of methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate?
The InChIKey is LMAMKMHDDDVSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10-9-12(3-4-13(10)15)16-7-5-11(6-8-16)14(17)18-2/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate?
methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate is sourced from PubChem (CID 59023366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).