4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol

C10H19F2NO — CID 146582687

IUPAC4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(CCCC(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-13-7-5-10(14,6-8-13)4-2-3-9(11)12/h9,14H,2-8H2,1H3
InChIKeyIITHVRYVKPWRIL-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.88
Rot. Bonds4

About 4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol

4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol (PubChem CID 146582687) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol
PubChem CID146582687
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(CCCC(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-13-7-5-10(14,6-8-13)4-2-3-9(11)12/h9,14H,2-8H2,1H3
InChIKeyIITHVRYVKPWRIL-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol (CID 146582687) is 4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol is CN1CCC(O)(CCCC(F)F)CC1.
What is the InChIKey of 4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol?
The InChIKey is IITHVRYVKPWRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-13-7-5-10(14,6-8-13)4-2-3-9(11)12/h9,14H,2-8H2,1H3.
What are the key properties of 4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol?
4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol has a molecular weight of 207.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorobutyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 146582687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).