1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine

C11H20F3N — CID 118031425

IUPAC1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine
SMILESCC(C)(C)N1CCC(C)(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N/c1-9(2,3)15-7-5-10(4,6-8-15)11(12,13)14/h5-8H2,1-4H3
InChIKeyNOQQRHXGBDNHPE-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.45
Rot. Bonds

About 1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine

1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine (PubChem CID 118031425) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine
PubChem CID118031425
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine
SMILESCC(C)(C)N1CCC(C)(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3N/c1-9(2,3)15-7-5-10(4,6-8-15)11(12,13)14/h5-8H2,1-4H3
InChIKeyNOQQRHXGBDNHPE-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.45
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-methyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine (CID 118031425) is 1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine is CC(C)(C)N1CCC(C)(C(F)(F)F)CC1.
What is the InChIKey of 1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine?
The InChIKey is NOQQRHXGBDNHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-9(2,3)15-7-5-10(4,6-8-15)11(12,13)14/h5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine?
1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine has a molecular weight of 223.28 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 118031425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).