4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol

C10H17F2NO — CID 146582324

IUPAC4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(CCC=C(F)F)CC1
InChIInChI=1S/C10H17F2NO/c1-13-7-5-10(14,6-8-13)4-2-3-9(11)12/h3,14H,2,4-8H2,1H3
InChIKeyWHDLVFNRSJAXMA-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.00
Rot. Bonds3

About 4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol

4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol (PubChem CID 146582324) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol
PubChem CID146582324
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(CCC=C(F)F)CC1
InChIInChI=1S/C10H17F2NO/c1-13-7-5-10(14,6-8-13)4-2-3-9(11)12/h3,14H,2,4-8H2,1H3
InChIKeyWHDLVFNRSJAXMA-UHFFFAOYSA-N
XLogP2.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol (CID 146582324) is 4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol is CN1CCC(O)(CCC=C(F)F)CC1.
What is the InChIKey of 4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol?
The InChIKey is WHDLVFNRSJAXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-13-7-5-10(14,6-8-13)4-2-3-9(11)12/h3,14H,2,4-8H2,1H3.
What are the key properties of 4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol?
4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol has a molecular weight of 205.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorobut-3-enyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 146582324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).