4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol

C9H17F2NO — CID 90419016

IUPAC4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol
SMILESCC(CC1(O)CCNCC1)C(F)F
InChIInChI=1S/C9H17F2NO/c1-7(8(10)11)6-9(13)2-4-12-5-3-9/h7-8,12-13H,2-6H2,1H3
InChIKeyVPULCKMCAVCNOS-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.39
Rot. Bonds3

About 4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol

4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol (PubChem CID 90419016) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol
PubChem CID90419016
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol
SMILESCC(CC1(O)CCNCC1)C(F)F
InChIInChI=1S/C9H17F2NO/c1-7(8(10)11)6-9(13)2-4-12-5-3-9/h7-8,12-13H,2-6H2,1H3
InChIKeyVPULCKMCAVCNOS-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol?
The IUPAC name of 4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol (CID 90419016) is 4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol.
What is the SMILES notation for 4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol?
The canonical SMILES for 4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol is CC(CC1(O)CCNCC1)C(F)F.
What is the InChIKey of 4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol?
The InChIKey is VPULCKMCAVCNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(8(10)11)6-9(13)2-4-12-5-3-9/h7-8,12-13H,2-6H2,1H3.
What are the key properties of 4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol?
4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol has a molecular weight of 193.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoro-2-methylpropyl)piperidin-4-ol is sourced from PubChem (CID 90419016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).