4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine

C14H19F2N — CID 116838786

IUPAC4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine
SMILESCc1ccc(C)c(C(F)(F)C2CCNCC2)c1
InChIInChI=1S/C14H19F2N/c1-10-3-4-11(2)13(9-10)14(15,16)12-5-7-17-8-6-12/h3-4,9,12,17H,5-8H2,1-2H3
InChIKeyQAUSODUIVXEEBO-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.39
Rot. Bonds2

About 4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine

4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine (PubChem CID 116838786) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine
PubChem CID116838786
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine
SMILESCc1ccc(C)c(C(F)(F)C2CCNCC2)c1
InChIInChI=1S/C14H19F2N/c1-10-3-4-11(2)13(9-10)14(15,16)12-5-7-17-8-6-12/h3-4,9,12,17H,5-8H2,1-2H3
InChIKeyQAUSODUIVXEEBO-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

4-[difluoro-(2,4,6-trimethylphenyl)methyl]piperidine
CID 116838804
3-[(2,4-dimethylphenyl)-difluoromethyl]piperidine
CID 116838867
2-[cyclopropyl(difluoro)methyl]-1-methoxy-4-methylbenzene
CID 116841637
4-[1-fluoro-1-(4-methylphenyl)ethyl]piperidine
CID 84724889
4-[difluoro-(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
CID 116838820
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118553
1-(2,5-dimethylphenyl)-1-piperidin-3-ylethanol
CID 63586450
4-[1-fluoro-1-(3-methylphenyl)ethyl]piperidine
CID 84724888
3-[difluoro-(2-methylphenyl)methyl]piperidine
CID 84725689
3-[difluoro-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyrrolidine
CID 116839100
1-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]piperazine
CID 116840439
2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840108

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine?
The IUPAC name of 4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine (CID 116838786) is 4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine?
The canonical SMILES for 4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine is Cc1ccc(C)c(C(F)(F)C2CCNCC2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine?
The InChIKey is QAUSODUIVXEEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10-3-4-11(2)13(9-10)14(15,16)12-5-7-17-8-6-12/h3-4,9,12,17H,5-8H2,1-2H3.
What are the key properties of 4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine?
4-[(2,5-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 4-[(2,5-dimethylphenyl)-difluoromethyl]piperidine is sourced from PubChem (CID 116838786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).