1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine

C16H22F3N — CID 58412701

IUPAC1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
SMILESCC(C)(C)c1ccc(N2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-15(2,3)12-7-8-14(13(11-12)16(17,18)19)20-9-5-4-6-10-20/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyXPUHXGBOGJWEOJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.99
Rot. Bonds1

About 1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine

1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine (PubChem CID 58412701) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
PubChem CID58412701
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
SMILESCC(C)(C)c1ccc(N2CCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N/c1-15(2,3)12-7-8-14(13(11-12)16(17,18)19)20-9-5-4-6-10-20/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyXPUHXGBOGJWEOJ-UHFFFAOYSA-N
XLogP4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
CID 58525019
1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine
CID 91620600
1-[2,4-bis(trifluoromethyl)phenyl]piperazine
CID 86600709
1-[4-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(dimethylamino)propan-1-one
CID 58525168
4-(2,4-ditert-butylphenyl)morpholine
CID 59709213
4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]azocane
CID 163787367
1-(4-tert-butyl-2-phenylphenyl)pyrrolidine
CID 168512270
1-(5-tert-butyl-2-methylsulfonylphenyl)piperidine
CID 166005479
1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
CID 21363835
1-iodo-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
CID 152874688
2-(5-methyl-2-piperidin-1-ylphenyl)propan-2-ol
CID 117339104
3-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]butanamide
CID 154280149

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine (CID 58412701) is 1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine is CC(C)(C)c1ccc(N2CCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine?
The InChIKey is XPUHXGBOGJWEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-15(2,3)12-7-8-14(13(11-12)16(17,18)19)20-9-5-4-6-10-20/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine?
1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine has a molecular weight of 285.35 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 58412701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).