4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine

C15H22F3N — CID 170068632

IUPAC4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine
SMILESCC1C(CC2CCNCC2)=CC=C(C(F)(F)F)[C@@H]1C
InChIInChI=1S/C15H22F3N/c1-10-11(2)14(15(16,17)18)4-3-13(10)9-12-5-7-19-8-6-12/h3-4,10-12,19H,5-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyRVNYEKCIBIJBOY-RRKGBCIJSA-N
MW273.34 g/mol
LogP4.08
Rot. Bonds2

About 4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine

4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine (PubChem CID 170068632) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine
PubChem CID170068632
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine
SMILESCC1C(CC2CCNCC2)=CC=C(C(F)(F)F)[C@@H]1C
InChIInChI=1S/C15H22F3N/c1-10-11(2)14(15(16,17)18)4-3-13(10)9-12-5-7-19-8-6-12/h3-4,10-12,19H,5-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyRVNYEKCIBIJBOY-RRKGBCIJSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine?
The IUPAC name of 4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine (CID 170068632) is 4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine is CC1C(CC2CCNCC2)=CC=C(C(F)(F)F)[C@@H]1C.
What is the InChIKey of 4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine?
The InChIKey is RVNYEKCIBIJBOY-RRKGBCIJSA-N. The full InChI is InChI=1S/C15H22F3N/c1-10-11(2)14(15(16,17)18)4-3-13(10)9-12-5-7-19-8-6-12/h3-4,10-12,19H,5-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of 4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine?
4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine has a molecular weight of 273.34 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5R)-5,6-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperidine is sourced from PubChem (CID 170068632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).