1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol

C12H22F3NO — CID 83983137

IUPAC1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol
SMILESCC(C)CN1CCC(C(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-9(2)8-16-6-4-10(5-7-16)11(3,17)12(13,14)15/h9-10,17H,4-8H2,1-3H3
InChIKeyYRTAUHJIAONTDX-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.67
Rot. Bonds3

About 1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol

1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol (PubChem CID 83983137) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol
PubChem CID83983137
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol
SMILESCC(C)CN1CCC(C(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-9(2)8-16-6-4-10(5-7-16)11(3,17)12(13,14)15/h9-10,17H,4-8H2,1-3H3
InChIKeyYRTAUHJIAONTDX-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-2-(piperidin-4-yl)propan-2-ol
CID 50987534
1-Methyl-4-isopropylpiperid-4-ol
CID 23395568
(2R)-1,1,1-trifluoro-2-piperidin-4-ylpropan-2-ol
CID 52421250
(2S)-1,1,1-trifluoro-2-(4-piperidyl)propan-2-ol
CID 52421252
1-(2,2-Dimethylpropyl)-4-(trifluoromethyl)piperidin-4-ol
CID 57845663
1,1,1,3,3,3-Hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol
CID 58394511
1-Tert-butyl-3-(trifluoromethyl)piperidin-3-ol
CID 59539743
1-Ethyl-4-(trifluoromethyl)piperidin-4-ol
CID 61644735
1-Propyl-4-(trifluoromethyl)piperidin-4-ol
CID 61644948
1-(2-Methylpropyl)-4-(trifluoromethyl)piperidin-4-ol
CID 70967810
4-(Difluoromethyl)-1-propylpiperidin-4-ol
CID 80605093
1-(2,2-Difluoroethyl)-4-methylpiperidin-4-ol
CID 80703234

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol (CID 83983137) is 1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol is CC(C)CN1CCC(C(C)(O)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol?
The InChIKey is YRTAUHJIAONTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(2)8-16-6-4-10(5-7-16)11(3,17)12(13,14)15/h9-10,17H,4-8H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol?
1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol has a molecular weight of 253.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 83983137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).