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

Analyze methyl 4-(3-fluorophenyl)-2-methylpiperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).