1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine

C13H18F3NO — CID 173168342

IUPAC1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine
SMILESCN1CCC(OC2=CC=C(C(F)(F)F)CC2)CC1
InChIInChI=1S/C13H18F3NO/c1-17-8-6-12(7-9-17)18-11-4-2-10(3-5-11)13(14,15)16/h2,4,12H,3,5-9H2,1H3
InChIKeyZETZSVVELXQDLG-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.26
Rot. Bonds2

About 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine

1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine (PubChem CID 173168342) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine.

Molecular Properties

Compound Name1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine
PubChem CID173168342
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine
SMILESCN1CCC(OC2=CC=C(C(F)(F)F)CC2)CC1
InChIInChI=1S/C13H18F3NO/c1-17-8-6-12(7-9-17)18-11-4-2-10(3-5-11)13(14,15)16/h2,4,12H,3,5-9H2,1H3
InChIKeyZETZSVVELXQDLG-UHFFFAOYSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 143503258
CID 143503258
CID 168168416
CID 168168416
CID 170044878
CID 170044878
CID 173192988
CID 173192988
CID 168168417
CID 168168417
CID 71133721
CID 71133721
CID 118058189
CID 118058189
CID 144233273
CID 144233273

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine?
The IUPAC name of 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine (CID 173168342) is 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine.
What is the SMILES notation for 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine?
The canonical SMILES for 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine is CN1CCC(OC2=CC=C(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine?
The InChIKey is ZETZSVVELXQDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-17-8-6-12(7-9-17)18-11-4-2-10(3-5-11)13(14,15)16/h2,4,12H,3,5-9H2,1H3.
What are the key properties of 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine?
1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine has a molecular weight of 261.29 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxypiperidine is sourced from PubChem (CID 173168342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).