3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine

C14H20FN — CID 84788111

IUPAC3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
SMILESCc1cc(C)c(F)c(CC2CCCNC2)c1
InChIInChI=1S/C14H20FN/c1-10-6-11(2)14(15)13(7-10)8-12-4-3-5-16-9-12/h6-7,12,16H,3-5,8-9H2,1-2H3
InChIKeyQDGBAKBCORIHGG-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.98
Rot. Bonds2

About 3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine

3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine (PubChem CID 84788111) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
PubChem CID84788111
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
SMILESCc1cc(C)c(F)c(CC2CCCNC2)c1
InChIInChI=1S/C14H20FN/c1-10-6-11(2)14(15)13(7-10)8-12-4-3-5-16-9-12/h6-7,12,16H,3-5,8-9H2,1-2H3
InChIKeyQDGBAKBCORIHGG-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine
CID 84798655
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
4-methyl-2-(piperidin-3-ylmethyl)aniline
CID 105456884
3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine
CID 84799772
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline
CID 117336984
3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
CID 117117997
3-[2,2-difluoro-2-(2,4,6-trimethylphenyl)ethyl]piperidine
CID 116840323
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde
CID 117309812
5,7-dimethyl-3-(piperidin-3-ylmethyl)quinoline
CID 84635397

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine?
The IUPAC name of 3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine (CID 84788111) is 3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine is Cc1cc(C)c(F)c(CC2CCCNC2)c1.
What is the InChIKey of 3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine?
The InChIKey is QDGBAKBCORIHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10-6-11(2)14(15)13(7-10)8-12-4-3-5-16-9-12/h6-7,12,16H,3-5,8-9H2,1-2H3.
What are the key properties of 3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine?
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine has a molecular weight of 221.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine is sourced from PubChem (CID 84788111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).