[3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol

C11H20FNO — CID 167848859

IUPAC[3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol
SMILESCC(C)=CCN1CCCC(F)(CO)C1
InChIInChI=1S/C11H20FNO/c1-10(2)4-7-13-6-3-5-11(12,8-13)9-14/h4,14H,3,5-9H2,1-2H3
InChIKeyLELIAAJXBMLZIM-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.75
Rot. Bonds3

About [3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol

[3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol (PubChem CID 167848859) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is [3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol
PubChem CID167848859
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name[3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol
SMILESCC(C)=CCN1CCCC(F)(CO)C1
InChIInChI=1S/C11H20FNO/c1-10(2)4-7-13-6-3-5-11(12,8-13)9-14/h4,14H,3,5-9H2,1-2H3
InChIKeyLELIAAJXBMLZIM-UHFFFAOYSA-N
XLogP1.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1-Prop-2-enylpiperidin-3-yl)methanol
CID 14781225
[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 170959093
[(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol
CID 171479032
[(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 171479033
[(3S)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol
CID 171479044
(1-Butyl-3-fluoropiperidin-3-yl)methanol
CID 172806279
[(4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 174208146
[4-(Fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 174208477
[(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 175525631
[(4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 175525633
(4,4-Difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl)methanol
CID 175554830
[(4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol
CID 175554849

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
The IUPAC name of [3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol (CID 167848859) is [3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol is CC(C)=CCN1CCCC(F)(CO)C1.
What is the InChIKey of [3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
The InChIKey is LELIAAJXBMLZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-10(2)4-7-13-6-3-5-11(12,8-13)9-14/h4,14H,3,5-9H2,1-2H3.
What are the key properties of [3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol?
[3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol has a molecular weight of 201.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol is sourced from PubChem (CID 167848859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).