3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine

C14H19F2N — CID 117007689

IUPAC3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine
SMILESCc1cc(C)c(N2CCCC(F)(F)C2)c(C)c1
InChIInChI=1S/C14H19F2N/c1-10-7-11(2)13(12(3)8-10)17-6-4-5-14(15,16)9-17/h7-8H,4-6,9H2,1-3H3
InChIKeyBMQNAUJYEWCYRW-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.85
Rot. Bonds1

About 3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine

3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine (PubChem CID 117007689) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine
PubChem CID117007689
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine
SMILESCc1cc(C)c(N2CCCC(F)(F)C2)c(C)c1
InChIInChI=1S/C14H19F2N/c1-10-7-11(2)13(12(3)8-10)17-6-4-5-14(15,16)9-17/h7-8H,4-6,9H2,1-3H3
InChIKeyBMQNAUJYEWCYRW-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine
CID 117007604
1-(5-chloro-2-methylphenyl)-3,3-difluoropiperidine
CID 117007699
3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117013202
[3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol
CID 117012230
[4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine
CID 117007853
3,3-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine
CID 86810876
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
3,5-dimethyl-2-piperidin-1-ylaniline
CID 30029941
N-[3-(3,3-difluoropiperidin-1-yl)-2,6-dimethylphenyl]acetamide
CID 167388987
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-difluoropiperidine
CID 117007729
1-[(4-bromo-2,6-dimethylphenyl)methyl]-3,3-difluoropiperidine
CID 172876555
4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline
CID 146019182

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine?
The IUPAC name of 3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine (CID 117007689) is 3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine.
What is the SMILES notation for 3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine?
The canonical SMILES for 3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine is Cc1cc(C)c(N2CCCC(F)(F)C2)c(C)c1.
What is the InChIKey of 3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine?
The InChIKey is BMQNAUJYEWCYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10-7-11(2)13(12(3)8-10)17-6-4-5-14(15,16)9-17/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine?
3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine has a molecular weight of 239.31 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine is sourced from PubChem (CID 117007689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).