2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol

C11H20F3NO — CID 167468065

IUPAC2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol
SMILESCC(C)(CO)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-10(2,8-16)9-3-5-15(6-4-9)7-11(12,13)14/h9,16H,3-8H2,1-2H3
InChIKeySCCHHACXDOYZJU-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.28
Rot. Bonds3

About 2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol

2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol (PubChem CID 167468065) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol
PubChem CID167468065
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol
SMILESCC(C)(CO)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-10(2,8-16)9-3-5-15(6-4-9)7-11(12,13)14/h9,16H,3-8H2,1-2H3
InChIKeySCCHHACXDOYZJU-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 59416758
ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345486
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
4-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 146488819
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)piperidine
CID 58877740
N-[(2-methylpropan-2-yl)oxy]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 82719979
2-cycloheptyl-2-methylpropan-1-ol
CID 82936558
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 103788940
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]ethanamine
CID 62593089
(3S)-3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 122495210
(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58573528
tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol?
The IUPAC name of 2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol (CID 167468065) is 2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol is CC(C)(CO)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol?
The InChIKey is SCCHHACXDOYZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(2,8-16)9-3-5-15(6-4-9)7-11(12,13)14/h9,16H,3-8H2,1-2H3.
What are the key properties of 2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol?
2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 167468065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).