1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol

C13H25F2NO — CID 90420086

IUPAC1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol
SMILESCC(F)(F)CCC1(O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H25F2NO/c1-11(2,3)16-9-7-13(17,8-10-16)6-5-12(4,14)15/h17H,5-10H2,1-4H3
InChIKeyJFLPWAUJPUNZBF-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.05
Rot. Bonds3

About 1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol

1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol (PubChem CID 90420086) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol.

Molecular Properties

Compound Name1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol
PubChem CID90420086
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol
SMILESCC(F)(F)CCC1(O)CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H25F2NO/c1-11(2,3)16-9-7-13(17,8-10-16)6-5-12(4,14)15/h17H,5-10H2,1-4H3
InChIKeyJFLPWAUJPUNZBF-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol?
The IUPAC name of 1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol (CID 90420086) is 1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol.
What is the SMILES notation for 1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol?
The canonical SMILES for 1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol is CC(F)(F)CCC1(O)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol?
The InChIKey is JFLPWAUJPUNZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-11(2,3)16-9-7-13(17,8-10-16)6-5-12(4,14)15/h17H,5-10H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol?
1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol has a molecular weight of 249.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol is sourced from PubChem (CID 90420086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).