4-(3,3-difluorobutyl)piperidin-4-ol;ethane

C11H23F2NO — CID 144699596

IUPAC4-(3,3-difluorobutyl)piperidin-4-ol;ethane
SMILESCC.CC(F)(F)CCC1(O)CCNCC1
InChIInChI=1S/C9H17F2NO.C2H6/c1-8(10,11)2-3-9(13)4-6-12-7-5-9;1-2/h12-13H,2-7H2,1H3;1-2H3
InChIKeyPDXMMPFQROCIHI-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.56
Rot. Bonds3

About 4-(3,3-difluorobutyl)piperidin-4-ol;ethane

4-(3,3-difluorobutyl)piperidin-4-ol;ethane (PubChem CID 144699596) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is 4-(3,3-difluorobutyl)piperidin-4-ol;ethane.

Molecular Properties

Compound Name4-(3,3-difluorobutyl)piperidin-4-ol;ethane
PubChem CID144699596
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name4-(3,3-difluorobutyl)piperidin-4-ol;ethane
SMILESCC.CC(F)(F)CCC1(O)CCNCC1
InChIInChI=1S/C9H17F2NO.C2H6/c1-8(10,11)2-3-9(13)4-6-12-7-5-9;1-2/h12-13H,2-7H2,1H3;1-2H3
InChIKeyPDXMMPFQROCIHI-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorobutyl)piperidin-4-ol;ethane?
The IUPAC name of 4-(3,3-difluorobutyl)piperidin-4-ol;ethane (CID 144699596) is 4-(3,3-difluorobutyl)piperidin-4-ol;ethane.
What is the SMILES notation for 4-(3,3-difluorobutyl)piperidin-4-ol;ethane?
The canonical SMILES for 4-(3,3-difluorobutyl)piperidin-4-ol;ethane is CC.CC(F)(F)CCC1(O)CCNCC1.
What is the InChIKey of 4-(3,3-difluorobutyl)piperidin-4-ol;ethane?
The InChIKey is PDXMMPFQROCIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO.C2H6/c1-8(10,11)2-3-9(13)4-6-12-7-5-9;1-2/h12-13H,2-7H2,1H3;1-2H3.
What are the key properties of 4-(3,3-difluorobutyl)piperidin-4-ol;ethane?
4-(3,3-difluorobutyl)piperidin-4-ol;ethane has a molecular weight of 223.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorobutyl)piperidin-4-ol;ethane is sourced from PubChem (CID 144699596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).