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

C16H22F3N — CID 71260660

IUPAC1-tert-butyl-4-[4-(trifluoromethyl)phenyl]piperidine
SMILESCC(C)(C)N1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H22F3N/c1-15(2,3)20-10-8-13(9-11-20)12-4-6-14(7-5-12)16(17,18)19/h4-7,13H,8-11H2,1-3H3
InChIKeyYMHXJQCYLJDICV-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.68
Rot. Bonds1

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

1-tert-butyl-4-[4-(trifluoromethyl)phenyl]piperidine (PubChem CID 71260660) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[4-(trifluoromethyl)phenyl]piperidine
PubChem CID71260660
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name1-tert-butyl-4-[4-(trifluoromethyl)phenyl]piperidine
SMILESCC(C)(C)N1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H22F3N/c1-15(2,3)20-10-8-13(9-11-20)12-4-6-14(7-5-12)16(17,18)19/h4-7,13H,8-11H2,1-3H3
InChIKeyYMHXJQCYLJDICV-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 1-tert-butyl-4-[4-(trifluoromethyl)phenyl]piperidine (CID 71260660) is 1-tert-butyl-4-[4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[4-(trifluoromethyl)phenyl]piperidine is CC(C)(C)N1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-tert-butyl-4-[4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is YMHXJQCYLJDICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-15(2,3)20-10-8-13(9-11-20)12-4-6-14(7-5-12)16(17,18)19/h4-7,13H,8-11H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[4-(trifluoromethyl)phenyl]piperidine?
1-tert-butyl-4-[4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 285.35 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 71260660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).