methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate

C15H20FNO2 — CID 113345079

IUPACmethyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(Cc2ccc(F)cc2C)C1
InChIInChI=1S/C15H20FNO2/c1-11-8-14(16)6-5-12(11)9-17-7-3-4-13(10-17)15(18)19-2/h5-6,8,13H,3-4,7,9-10H2,1-2H3
InChIKeyYGCXNEARZCKCBS-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.52
Rot. Bonds3

About methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate

methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate (PubChem CID 113345079) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
PubChem CID113345079
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Namemethyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(Cc2ccc(F)cc2C)C1
InChIInChI=1S/C15H20FNO2/c1-11-8-14(16)6-5-12(11)9-17-7-3-4-13(10-17)15(18)19-2/h5-6,8,13H,3-4,7,9-10H2,1-2H3
InChIKeyYGCXNEARZCKCBS-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate
CID 103885835
methyl (3S)-1-[(2-chloro-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 102609431
ethyl (3R)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763743
ethyl (3S)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763740
methyl 1-[(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 112730829
methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate
CID 115882746
(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859
methyl 1-[(4-fluoro-2-methylphenyl)methyl]-4-methylpyrrolidine-3-carboxylate
CID 113346201
methyl (3S)-1-[(3-bromo-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 79673936
methyl 1-[(3-bromo-5-fluorophenyl)methyl]piperidine-3-carboxylate
CID 79673422
methyl 1-[(5-fluoro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 104956290
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 178133859

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate (CID 113345079) is methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate is COC(=O)C1CCCN(Cc2ccc(F)cc2C)C1.
What is the InChIKey of methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate?
The InChIKey is YGCXNEARZCKCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-8-14(16)6-5-12(11)9-17-7-3-4-13(10-17)15(18)19-2/h5-6,8,13H,3-4,7,9-10H2,1-2H3.
What are the key properties of methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate?
methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-fluoro-2-methylphenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 113345079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).