3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine

C14H19F2N — CID 116838867

IUPAC3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine
SMILESCc1ccc(C(F)(F)C2CCCNC2)c(C)c1
InChIInChI=1S/C14H19F2N/c1-10-5-6-13(11(2)8-10)14(15,16)12-4-3-7-17-9-12/h5-6,8,12,17H,3-4,7,9H2,1-2H3
InChIKeyIMVCLLKAGQCJMM-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.39
Rot. Bonds2

About 3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine

3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine (PubChem CID 116838867) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine
PubChem CID116838867
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine
SMILESCc1ccc(C(F)(F)C2CCCNC2)c(C)c1
InChIInChI=1S/C14H19F2N/c1-10-5-6-13(11(2)8-10)14(15,16)12-4-3-7-17-9-12/h5-6,8,12,17H,3-4,7,9H2,1-2H3
InChIKeyIMVCLLKAGQCJMM-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[difluoro-(2-methylphenyl)methyl]piperidine
CID 84725689
3-[difluoro-(2-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 116838895
3-[difluoro-(4-methoxy-2,5-dimethylphenyl)methyl]piperidine
CID 116838879
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine
CID 116838786
1-(2-fluoro-5-methylphenyl)-1-piperidin-3-ylethanol
CID 63586093
3-[difluoro-(2-methoxyphenyl)methyl]piperidine
CID 84728168
3-(2,4-dimethylphenyl)piperidine
CID 10535662
1-fluoro-2,4-dimethylbenzene;3-methylpiperidine
CID 146172473
3-[difluoro-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyrrolidine
CID 116839100
3-[1-(3,5-dimethylphenyl)-1-fluoroethyl]piperidine
CID 112564951
3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine
CID 112564824

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine?
The IUPAC name of 3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine (CID 116838867) is 3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine?
The canonical SMILES for 3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine is Cc1ccc(C(F)(F)C2CCCNC2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine?
The InChIKey is IMVCLLKAGQCJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10-5-6-13(11(2)8-10)14(15,16)12-4-3-7-17-9-12/h5-6,8,12,17H,3-4,7,9H2,1-2H3.
What are the key properties of 3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine?
3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine has a molecular weight of 239.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine is sourced from PubChem (CID 116838867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).