1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol

C14H26F3NO — CID 153289723

IUPAC1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)(C)C1CC(O)(C(F)(F)F)CCN1C(C)(C)C
InChIInChI=1S/C14H26F3NO/c1-11(2,3)10-9-13(19,14(15,16)17)7-8-18(10)12(4,5)6/h10,19H,7-9H2,1-6H3
InChIKeySEVJITYITXOARR-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.59
Rot. Bonds

About 1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol

1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 153289723) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol
PubChem CID153289723
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol
SMILESCC(C)(C)C1CC(O)(C(F)(F)F)CCN1C(C)(C)C
InChIInChI=1S/C14H26F3NO/c1-11(2,3)10-9-13(19,14(15,16)17)7-8-18(10)12(4,5)6/h10,19H,7-9H2,1-6H3
InChIKeySEVJITYITXOARR-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Tert-butyl-4-(3,3-difluorobutyl)-4-hydroxypiperidine-1-carboxylic acid
CID 90418938
1-Tert-butyl-4-(3,3-difluoropropyl)piperidin-4-ol
CID 90418989
1-Tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol
CID 90419709
1-Tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol
CID 90420086
1-Methyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 115515262
1-(3-Methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol
CID 129167207
4-(3,3-Difluorobutyl)-1-methylpiperidin-4-ol
CID 144699623
4-(4,4-Difluorobutyl)-1-methylpiperidin-4-ol
CID 146582687
4-Pentan-2-yl-1-(2,2,2-trifluoroethyl)piperidin-4-ol
CID 166726968
4-Cyclopentyl-7-(trifluoromethyl)-4-azaspiro[2.5]octan-7-ol
CID 177037678
1-Methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol
CID 177304174
1,2,2,3,3,4,6,6-Octamethyl-4-piperidol
CID 14811818

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol (CID 153289723) is 1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol is CC(C)(C)C1CC(O)(C(F)(F)F)CCN1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is SEVJITYITXOARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-11(2,3)10-9-13(19,14(15,16)17)7-8-18(10)12(4,5)6/h10,19H,7-9H2,1-6H3.
What are the key properties of 1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol?
1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 281.36 g/mol, XLogP of 3.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 153289723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).