4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane

C9H19F2NO — CID 168906550

IUPAC4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane
SMILESCC.CN1CCC(F)(F)C(C)(O)C1
InChIInChI=1S/C7H13F2NO.C2H6/c1-6(11)5-10(2)4-3-7(6,8)9;1-2/h11H,3-5H2,1-2H3;1-2H3
InChIKeyZYDQNKQGECMBRG-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.73
Rot. Bonds

About 4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane

4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane (PubChem CID 168906550) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane.

Molecular Properties

Compound Name4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane
PubChem CID168906550
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane
SMILESCC.CN1CCC(F)(F)C(C)(O)C1
InChIInChI=1S/C7H13F2NO.C2H6/c1-6(11)5-10(2)4-3-7(6,8)9;1-2/h11H,3-5H2,1-2H3;1-2H3
InChIKeyZYDQNKQGECMBRG-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(r,s)-1,3-Diethyl-piperidin-3-ol
CID 21581073
1,1,1,3,3,3-Hexafluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]propan-2-ol
CID 58394511
1-Tert-butyl-3-(trifluoromethyl)piperidin-3-ol
CID 59539743
1-Propyl-4-(trifluoromethyl)piperidin-4-ol
CID 61644948
4-(Difluoromethyl)-1-propylpiperidin-4-ol
CID 80605093
3-(Difluoromethyl)-1-methylpiperidin-3-ol
CID 81713059
1,1,1-Trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol
CID 83983137
1-Ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
1,1,1,3,3,3-Hexafluoro-2-(1-methylpiperidin-4-yl)propan-2-ol
CID 89715300
1-Methyl-3-(trifluoromethyl)piperidin-3-ol
CID 89751445
Ethane;1-methyl-4-(trifluoromethyl)piperidin-4-ol
CID 90865476
4-Fluoro-3-methyl-1-propan-2-ylpiperidin-3-ol
CID 126655208

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane?
The IUPAC name of 4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane (CID 168906550) is 4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane.
What is the SMILES notation for 4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane?
The canonical SMILES for 4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane is CC.CN1CCC(F)(F)C(C)(O)C1.
What is the InChIKey of 4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane?
The InChIKey is ZYDQNKQGECMBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO.C2H6/c1-6(11)5-10(2)4-3-7(6,8)9;1-2/h11H,3-5H2,1-2H3;1-2H3.
What are the key properties of 4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane?
4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane has a molecular weight of 195.25 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,3-dimethylpiperidin-3-ol;ethane is sourced from PubChem (CID 168906550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).