methyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate

C14H18FNO2 — CID 117258353

IUPACmethyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate
SMILESCOC(=O)C1(C)CC(c2cccc(F)c2)CCN1
InChIInChI=1S/C14H18FNO2/c1-14(13(17)18-2)9-11(6-7-16-14)10-4-3-5-12(15)8-10/h3-5,8,11,16H,6-7,9H2,1-2H3
InChIKeyVHLAVSZMXDPGRA-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.22
Rot. Bonds2

About methyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate

methyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate (PubChem CID 117258353) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate
PubChem CID117258353
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Namemethyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate
SMILESCOC(=O)C1(C)CC(c2cccc(F)c2)CCN1
InChIInChI=1S/C14H18FNO2/c1-14(13(17)18-2)9-11(6-7-16-14)10-4-3-5-12(15)8-10/h3-5,8,11,16H,6-7,9H2,1-2H3
InChIKeyVHLAVSZMXDPGRA-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,4S)-2-methyl-4-phenylpyrrolidine-2-carboxylate
CID 86592479
2-methyl-4-phenylpiperidine-2-carboxylic acid
CID 117258341
methyl (2R,5S)-5-(3-fluorophenyl)piperidine-2-carboxylate
CID 96530452
3-(3-fluorophenyl)pyrrolidine;oxalic acid
CID 91623790
methyl 4-(3-fluorophenyl)azetidine-2-carboxylate
CID 105462660
methyl 4-(4-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylate
CID 117270279
4-(3-bromophenyl)-2,2-dimethylpiperidine
CID 117258218
methyl 6-fluoro-3-methyl-2,4-dihydro-1H-isoquinoline-3-carboxylate
CID 68549388
methyl 2-(3-fluorophenyl)azetidine-3-carboxylate
CID 105462663
dimethyl (1S,2S,4R,5R)-2,4-bis(3-fluorophenyl)-3,7-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate
CID 10504618
4-fluoro-2-(3-fluorophenyl)-2-methylpiperidine
CID 115027328
dimethyl 2,2-dicyano-3-(3-fluorophenyl)cyclopropane-1,1-dicarboxylate
CID 91694182

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate?
The IUPAC name of methyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate (CID 117258353) is methyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate?
The canonical SMILES for methyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate is COC(=O)C1(C)CC(c2cccc(F)c2)CCN1.
What is the InChIKey of methyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate?
The InChIKey is VHLAVSZMXDPGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(13(17)18-2)9-11(6-7-16-14)10-4-3-5-12(15)8-10/h3-5,8,11,16H,6-7,9H2,1-2H3.
What are the key properties of methyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate?
methyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate is sourced from PubChem (CID 117258353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).