(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine

C13H18F3N — CID 70327342

IUPAC(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
SMILESCC1CCN[C@@H](C2C=CC(C(F)(F)F)=CC2)C1
InChIInChI=1S/C13H18F3N/c1-9-6-7-17-12(8-9)10-2-4-11(5-3-10)13(14,15)16/h2,4-5,9-10,12,17H,3,6-8H2,1H3/t9?,10?,12-/m1/s1
InChIKeyXMJLOPYTSTWNAS-RTYFJBAXSA-N
MW245.29 g/mol
LogP3.44
Rot. Bonds1

About (2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine

(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine (PubChem CID 70327342) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is (2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine.

Molecular Properties

Compound Name(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
PubChem CID70327342
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
SMILESCC1CCN[C@@H](C2C=CC(C(F)(F)F)=CC2)C1
InChIInChI=1S/C13H18F3N/c1-9-6-7-17-12(8-9)10-2-4-11(5-3-10)13(14,15)16/h2,4-5,9-10,12,17H,3,6-8H2,1H3/t9?,10?,12-/m1/s1
InChIKeyXMJLOPYTSTWNAS-RTYFJBAXSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
The IUPAC name of (2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine (CID 70327342) is (2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine.
What is the SMILES notation for (2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
The canonical SMILES for (2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine is CC1CCN[C@@H](C2C=CC(C(F)(F)F)=CC2)C1.
What is the InChIKey of (2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
The InChIKey is XMJLOPYTSTWNAS-RTYFJBAXSA-N. The full InChI is InChI=1S/C13H18F3N/c1-9-6-7-17-12(8-9)10-2-4-11(5-3-10)13(14,15)16/h2,4-5,9-10,12,17H,3,6-8H2,1H3/t9?,10?,12-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine?
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine has a molecular weight of 245.29 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine is sourced from PubChem (CID 70327342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).