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

C15H21F2N — CID 116840354

IUPAC4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine
SMILESCc1ccc(C(F)(F)CC2CCNCC2)cc1C
InChIInChI=1S/C15H21F2N/c1-11-3-4-14(9-12(11)2)15(16,17)10-13-5-7-18-8-6-13/h3-4,9,13,18H,5-8,10H2,1-2H3
InChIKeyZSPIROWQPUAMDT-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.78
Rot. Bonds3

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

4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine (PubChem CID 116840354) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine.

Molecular Properties

Compound Name4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine
PubChem CID116840354
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine
SMILESCc1ccc(C(F)(F)CC2CCNCC2)cc1C
InChIInChI=1S/C15H21F2N/c1-11-3-4-14(9-12(11)2)15(16,17)10-13-5-7-18-8-6-13/h3-4,9,13,18H,5-8,10H2,1-2H3
InChIKeyZSPIROWQPUAMDT-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine
CID 116840190
4-[2-(1,3-benzodioxol-5-yl)-2,2-difluoroethyl]piperidine
CID 116840363
3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840215
4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377676
2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 79708126
3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine
CID 116840188
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]pyrrolidine
CID 116840192
4-[3-(3,4-dimethylphenyl)propyl]piperidine
CID 82289413
5-(1,1-difluoro-2-pyrrolidin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116840235
1-(3,4-dimethylphenyl)-1-piperidin-4-ylethanol
CID 82290252
5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209791
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine?
The IUPAC name of 4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine (CID 116840354) is 4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine.
What is the SMILES notation for 4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine?
The canonical SMILES for 4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine is Cc1ccc(C(F)(F)CC2CCNCC2)cc1C.
What is the InChIKey of 4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine?
The InChIKey is ZSPIROWQPUAMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-11-3-4-14(9-12(11)2)15(16,17)10-13-5-7-18-8-6-13/h3-4,9,13,18H,5-8,10H2,1-2H3.
What are the key properties of 4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine?
4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine has a molecular weight of 253.34 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine is sourced from PubChem (CID 116840354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).