4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol

C17H25F2NO — CID 70752049

IUPAC4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1ccc(CN2CCC(F)(F)CC2)cc1
InChIInChI=1S/C17H25F2NO/c1-16(2,21)8-7-14-3-5-15(6-4-14)13-20-11-9-17(18,19)10-12-20/h3-6,21H,7-13H2,1-2H3
InChIKeyKGIOIJHHSNLHLV-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.62
Rot. Bonds5

About 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol

4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol (PubChem CID 70752049) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol
PubChem CID70752049
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1ccc(CN2CCC(F)(F)CC2)cc1
InChIInChI=1S/C17H25F2NO/c1-16(2,21)8-7-14-3-5-15(6-4-14)13-20-11-9-17(18,19)10-12-20/h3-6,21H,7-13H2,1-2H3
InChIKeyKGIOIJHHSNLHLV-UHFFFAOYSA-N
XLogP3.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol (CID 70752049) is 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol is CC(C)(O)CCc1ccc(CN2CCC(F)(F)CC2)cc1.
What is the InChIKey of 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol?
The InChIKey is KGIOIJHHSNLHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-16(2,21)8-7-14-3-5-15(6-4-14)13-20-11-9-17(18,19)10-12-20/h3-6,21H,7-13H2,1-2H3.
What are the key properties of 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol?
4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol has a molecular weight of 297.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]-2-methylbutan-2-ol is sourced from PubChem (CID 70752049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).