1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol

C12H22F3NO — CID 71174605

IUPAC1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol
SMILESCCC(C)(C)CN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-4-10(2,3)9-16-7-5-11(17,6-8-16)12(13,14)15/h17H,4-9H2,1-3H3
InChIKeyPAFKNXNQUMPBTL-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.81
Rot. Bonds3

About 1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol

1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 71174605) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol
PubChem CID71174605
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol
SMILESCCC(C)(C)CN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-4-10(2,3)9-16-7-5-11(17,6-8-16)12(13,14)15/h17H,4-9H2,1-3H3
InChIKeyPAFKNXNQUMPBTL-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol (CID 71174605) is 1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol is CCC(C)(C)CN1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is PAFKNXNQUMPBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-4-10(2,3)9-16-7-5-11(17,6-8-16)12(13,14)15/h17H,4-9H2,1-3H3.
What are the key properties of 1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol?
1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 253.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 71174605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).