4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine

C16H20F3NO2 — CID 171115591

IUPAC4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine
SMILESFC(F)(F)Oc1ccc(C2CCNCC2)c(OCC2CC2)c1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)22-13-3-4-14(12-5-7-20-8-6-12)15(9-13)21-10-11-1-2-11/h3-4,9,11-12,20H,1-2,5-8,10H2
InChIKeyNEWDEWDVKGMXHL-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.84
Rot. Bonds5

About 4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine

4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine (PubChem CID 171115591) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine
PubChem CID171115591
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine
SMILESFC(F)(F)Oc1ccc(C2CCNCC2)c(OCC2CC2)c1
InChIInChI=1S/C16H20F3NO2/c17-16(18,19)22-13-3-4-14(12-5-7-20-8-6-12)15(9-13)21-10-11-1-2-11/h3-4,9,11-12,20H,1-2,5-8,10H2
InChIKeyNEWDEWDVKGMXHL-UHFFFAOYSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(oxan-4-ylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171115600
4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 169452686
4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine
CID 166120324
2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde
CID 175242598
4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055
4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
CID 117421628
4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117402856
1-(cyclopropylmethoxy)-2-(trifluoromethoxy)benzene
CID 91212316
4-[2-(trifluoromethoxy)phenyl]azepane
CID 83262241
4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride
CID 134691211
3-(2-ethoxy-4-methoxyphenyl)pyrrolidine
CID 117316343
3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71133733

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine?
The IUPAC name of 4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine (CID 171115591) is 4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine is FC(F)(F)Oc1ccc(C2CCNCC2)c(OCC2CC2)c1.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine?
The InChIKey is NEWDEWDVKGMXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c17-16(18,19)22-13-3-4-14(12-5-7-20-8-6-12)15(9-13)21-10-11-1-2-11/h3-4,9,11-12,20H,1-2,5-8,10H2.
What are the key properties of 4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine?
4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine has a molecular weight of 315.33 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine is sourced from PubChem (CID 171115591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).