3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine

C14H19F2N — CID 84799772

IUPAC3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine
SMILESCc1ccc(C(F)F)c(CC2CCCNC2)c1
InChIInChI=1S/C14H19F2N/c1-10-4-5-13(14(15)16)12(7-10)8-11-3-2-6-17-9-11/h4-5,7,11,14,17H,2-3,6,8-9H2,1H3
InChIKeyUQXVRWZKHRGQFU-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.47
Rot. Bonds3

About 3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine

3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine (PubChem CID 84799772) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine
PubChem CID84799772
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine
SMILESCc1ccc(C(F)F)c(CC2CCCNC2)c1
InChIInChI=1S/C14H19F2N/c1-10-4-5-13(14(15)16)12(7-10)8-11-3-2-6-17-9-11/h4-5,7,11,14,17H,2-3,6,8-9H2,1H3
InChIKeyUQXVRWZKHRGQFU-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 105456884
N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline
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4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde
CID 117309812
3-[[5-chloro-2-(difluoromethyl)phenyl]methyl]pyrrolidine
CID 84802962
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
1,5-dimethyl-3-(piperidin-3-ylmethyl)indole
CID 84630406
3-[[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117451785
3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine
CID 84798655
3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 84804959
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine?
The IUPAC name of 3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine (CID 84799772) is 3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine.
What is the SMILES notation for 3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine?
The canonical SMILES for 3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine is Cc1ccc(C(F)F)c(CC2CCCNC2)c1.
What is the InChIKey of 3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine?
The InChIKey is UQXVRWZKHRGQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10-4-5-13(14(15)16)12(7-10)8-11-3-2-6-17-9-11/h4-5,7,11,14,17H,2-3,6,8-9H2,1H3.
What are the key properties of 3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine?
3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine has a molecular weight of 239.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine is sourced from PubChem (CID 84799772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).