4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine

C14H19F2N — CID 117007764

IUPAC4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccccc1N1CCC(F)(F)CC1
InChIInChI=1S/C14H19F2N/c1-11(2)12-5-3-4-6-13(12)17-9-7-14(15,16)8-10-17/h3-6,11H,7-10H2,1-2H3
InChIKeyPRNBVBWROUNUBN-UHFFFAOYSA-N
MW239.31 g/mol
LogP4.05
Rot. Bonds2

About 4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine

4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine (PubChem CID 117007764) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine
PubChem CID117007764
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine
SMILESCC(C)c1ccccc1N1CCC(F)(F)CC1
InChIInChI=1S/C14H19F2N/c1-11(2)12-5-3-4-6-13(12)17-9-7-14(15,16)8-10-17/h3-6,11H,7-10H2,1-2H3
InChIKeyPRNBVBWROUNUBN-UHFFFAOYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine?
The IUPAC name of 4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine (CID 117007764) is 4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine is CC(C)c1ccccc1N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine?
The InChIKey is PRNBVBWROUNUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-11(2)12-5-3-4-6-13(12)17-9-7-14(15,16)8-10-17/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine?
4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine has a molecular weight of 239.31 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(2-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 117007764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).