3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride

C13H18ClF2N — CID 115048909

IUPAC3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride
SMILESCc1ccccc1C1(C)NCCCC1(F)F.Cl
InChIInChI=1S/C13H17F2N.ClH/c1-10-6-3-4-7-11(10)12(2)13(14,15)8-5-9-16-12;/h3-4,6-7,16H,5,8-9H2,1-2H3;1H
InChIKeyZHJXDEWSPZHHQJ-UHFFFAOYSA-N
MW261.74 g/mol
LogP3.65
Rot. Bonds1

About 3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride

3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride (PubChem CID 115048909) has the molecular formula C13H18ClF2N and a molecular weight of 261.74 g/mol. Its IUPAC name is 3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride
PubChem CID115048909
Molecular FormulaC13H18ClF2N
Molecular Weight261.74 g/mol
Exact Mass261.11
IUPAC Name3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride
SMILESCc1ccccc1C1(C)NCCCC1(F)F.Cl
InChIInChI=1S/C13H17F2N.ClH/c1-10-6-3-4-7-11(10)12(2)13(14,15)8-5-9-16-12;/h3-4,6-7,16H,5,8-9H2,1-2H3;1H
InChIKeyZHJXDEWSPZHHQJ-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-Methyl-1,2,3,4-tetrahydroisoquinoline
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3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7462300
N-Benzyl-N-methylpiperidin-4-amine--hydrogen chloride (1/1)
CID 24746773
N-Methyl-1-phenylcyclohexylamine
CID 262910
3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10654599
7-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 10375551
3-Ethyl-1,2,3,4-tetrahydroisoquinoline
CID 14027805
4-[2-(Trifluoromethyl)phenyl]piperidine hydrochloride
CID 21936970

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride?
The IUPAC name of 3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride (CID 115048909) is 3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride.
What is the SMILES notation for 3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride?
The canonical SMILES for 3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride is Cc1ccccc1C1(C)NCCCC1(F)F.Cl.
What is the InChIKey of 3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride?
The InChIKey is ZHJXDEWSPZHHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N.ClH/c1-10-6-3-4-7-11(10)12(2)13(14,15)8-5-9-16-12;/h3-4,6-7,16H,5,8-9H2,1-2H3;1H.
What are the key properties of 3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride?
3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride has a molecular weight of 261.74 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methyl-2-(2-methylphenyl)piperidine;hydrochloride is sourced from PubChem (CID 115048909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).