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

C12H23F2NO — CID 90418989

IUPAC1-tert-butyl-4-(3,3-difluoropropyl)piperidin-4-ol
SMILESCC(C)(C)N1CCC(O)(CCC(F)F)CC1
InChIInChI=1S/C12H23F2NO/c1-11(2,3)15-8-6-12(16,7-9-15)5-4-10(13)14/h10,16H,4-9H2,1-3H3
InChIKeyRTKFMNRQFMVDKG-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.66
Rot. Bonds3

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

1-tert-butyl-4-(3,3-difluoropropyl)piperidin-4-ol (PubChem CID 90418989) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,3-difluoropropyl)piperidin-4-ol.

Molecular Properties

Compound Name1-tert-butyl-4-(3,3-difluoropropyl)piperidin-4-ol
PubChem CID90418989
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name1-tert-butyl-4-(3,3-difluoropropyl)piperidin-4-ol
SMILESCC(C)(C)N1CCC(O)(CCC(F)F)CC1
InChIInChI=1S/C12H23F2NO/c1-11(2,3)15-8-6-12(16,7-9-15)5-4-10(13)14/h10,16H,4-9H2,1-3H3
InChIKeyRTKFMNRQFMVDKG-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.66
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-difluoropropyl)piperidin-4-ol?
The IUPAC name of 1-tert-butyl-4-(3,3-difluoropropyl)piperidin-4-ol (CID 90418989) is 1-tert-butyl-4-(3,3-difluoropropyl)piperidin-4-ol.
What is the SMILES notation for 1-tert-butyl-4-(3,3-difluoropropyl)piperidin-4-ol?
The canonical SMILES for 1-tert-butyl-4-(3,3-difluoropropyl)piperidin-4-ol is CC(C)(C)N1CCC(O)(CCC(F)F)CC1.
What is the InChIKey of 1-tert-butyl-4-(3,3-difluoropropyl)piperidin-4-ol?
The InChIKey is RTKFMNRQFMVDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-11(2,3)15-8-6-12(16,7-9-15)5-4-10(13)14/h10,16H,4-9H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(3,3-difluoropropyl)piperidin-4-ol?
1-tert-butyl-4-(3,3-difluoropropyl)piperidin-4-ol has a molecular weight of 235.32 g/mol, XLogP of 2.66, 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-difluoropropyl)piperidin-4-ol is sourced from PubChem (CID 90418989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).