3-(fluoromethyl)-4-(2-methylphenyl)piperidine

C13H18FN — CID 23157157

IUPAC3-(fluoromethyl)-4-(2-methylphenyl)piperidine
SMILESCc1ccccc1C1CCNCC1CF
InChIInChI=1S/C13H18FN/c1-10-4-2-3-5-12(10)13-6-7-15-9-11(13)8-14/h2-5,11,13,15H,6-9H2,1H3
InChIKeyFFILFBNDGUICHU-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.66
Rot. Bonds2

About 3-(fluoromethyl)-4-(2-methylphenyl)piperidine

3-(fluoromethyl)-4-(2-methylphenyl)piperidine (PubChem CID 23157157) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-(fluoromethyl)-4-(2-methylphenyl)piperidine.

Molecular Properties

Compound Name3-(fluoromethyl)-4-(2-methylphenyl)piperidine
PubChem CID23157157
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name3-(fluoromethyl)-4-(2-methylphenyl)piperidine
SMILESCc1ccccc1C1CCNCC1CF
InChIInChI=1S/C13H18FN/c1-10-4-2-3-5-12(10)13-6-7-15-9-11(13)8-14/h2-5,11,13,15H,6-9H2,1H3
InChIKeyFFILFBNDGUICHU-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-methylphenyl)piperidin-4-ol
CID 117168026
4-(2-methylphenyl)piperidine-3-carboxylate
CID 23157120
3-(bromomethyl)-4-(2-methylphenyl)pyrrolidine
CID 131124384
3-ethyl-4-(2-ethylphenyl)piperidine
CID 79310603
4-(2-methylphenyl)-3-(3-methylphenyl)piperidine
CID 79441677
(3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine
CID 129492988
[4-(2-methoxyphenyl)piperidin-3-yl]methanol
CID 70454555
4-(2,3-dimethylphenyl)-3-phenylpiperidine
CID 79309119
[(2R,3S)-3-(2-methylphenyl)pyrrolidin-2-yl]methanol
CID 130672690
methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride
CID 91798782
(3S,4S)-4-[(4-chloro-3-methylphenyl)methyl]-3-(fluoromethyl)piperidine
CID 143089184
3-ethyl-4-phenylpiperidine
CID 56828112

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-4-(2-methylphenyl)piperidine?
The IUPAC name of 3-(fluoromethyl)-4-(2-methylphenyl)piperidine (CID 23157157) is 3-(fluoromethyl)-4-(2-methylphenyl)piperidine.
What is the SMILES notation for 3-(fluoromethyl)-4-(2-methylphenyl)piperidine?
The canonical SMILES for 3-(fluoromethyl)-4-(2-methylphenyl)piperidine is Cc1ccccc1C1CCNCC1CF.
What is the InChIKey of 3-(fluoromethyl)-4-(2-methylphenyl)piperidine?
The InChIKey is FFILFBNDGUICHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10-4-2-3-5-12(10)13-6-7-15-9-11(13)8-14/h2-5,11,13,15H,6-9H2,1H3.
What are the key properties of 3-(fluoromethyl)-4-(2-methylphenyl)piperidine?
3-(fluoromethyl)-4-(2-methylphenyl)piperidine has a molecular weight of 207.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-4-(2-methylphenyl)piperidine is sourced from PubChem (CID 23157157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).