1,4-ditert-butyl-3-(trifluoromethyl)piperidine

C14H26F3N — CID 170677204

IUPAC1,4-ditert-butyl-3-(trifluoromethyl)piperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1C(F)(F)F
InChIInChI=1S/C14H26F3N/c1-12(2,3)10-7-8-18(13(4,5)6)9-11(10)14(15,16)17/h10-11H,7-9H2,1-6H3
InChIKeyOXPAHGLBASUTHX-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.33
Rot. Bonds

About 1,4-ditert-butyl-3-(trifluoromethyl)piperidine

1,4-ditert-butyl-3-(trifluoromethyl)piperidine (PubChem CID 170677204) has the molecular formula C14H26F3N and a molecular weight of 265.36 g/mol. Its IUPAC name is 1,4-ditert-butyl-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1,4-ditert-butyl-3-(trifluoromethyl)piperidine
PubChem CID170677204
Molecular FormulaC14H26F3N
Molecular Weight265.36 g/mol
Exact Mass265.20
IUPAC Name1,4-ditert-butyl-3-(trifluoromethyl)piperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1C(F)(F)F
InChIInChI=1S/C14H26F3N/c1-12(2,3)10-7-8-18(13(4,5)6)9-11(10)14(15,16)17/h10-11H,7-9H2,1-6H3
InChIKeyOXPAHGLBASUTHX-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-1,3-ditert-butyl-4-fluoropyrrolidine
CID 153470719
(3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane
CID 161248171
1-tert-butyl-4-ethylpiperidin-3-ol
CID 146520403
1-tert-butyl-4-[(3S)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629837
1-tert-butyl-4-[(3R)-1-tert-butylpyrrolidin-3-yl]piperidine
CID 176629990
N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 90438031
(3R,5S)-1-tert-butylpiperidine-3,4,5-triol
CID 172518129
(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol
CID 90286839
(3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol
CID 159687975
2-[(3R)-1-tert-butylpyrrolidin-3-yl]propan-2-ol
CID 177116525
1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine
CID 167291830
(3S)-N-methyl-1-(trifluoromethyl)pyrrolidin-3-amine
CID 71647901

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-3-(trifluoromethyl)piperidine?
The IUPAC name of 1,4-ditert-butyl-3-(trifluoromethyl)piperidine (CID 170677204) is 1,4-ditert-butyl-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1,4-ditert-butyl-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1,4-ditert-butyl-3-(trifluoromethyl)piperidine is CC(C)(C)C1CCN(C(C)(C)C)CC1C(F)(F)F.
What is the InChIKey of 1,4-ditert-butyl-3-(trifluoromethyl)piperidine?
The InChIKey is OXPAHGLBASUTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N/c1-12(2,3)10-7-8-18(13(4,5)6)9-11(10)14(15,16)17/h10-11H,7-9H2,1-6H3.
What are the key properties of 1,4-ditert-butyl-3-(trifluoromethyl)piperidine?
1,4-ditert-butyl-3-(trifluoromethyl)piperidine has a molecular weight of 265.36 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 170677204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).