(1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol

C10H18FNO — CID 130734798

IUPAC(1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol
SMILESC=CC(C)N1CCCC(F)(CO)C1
InChIInChI=1S/C10H18FNO/c1-3-9(2)12-6-4-5-10(11,7-12)8-13/h3,9,13H,1,4-8H2,2H3
InChIKeyOHLLVHJEESMMJF-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.36
Rot. Bonds3

About (1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol

(1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol (PubChem CID 130734798) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol.

Molecular Properties

Compound Name(1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol
PubChem CID130734798
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol
SMILESC=CC(C)N1CCCC(F)(CO)C1
InChIInChI=1S/C10H18FNO/c1-3-9(2)12-6-4-5-10(11,7-12)8-13/h3,9,13H,1,4-8H2,2H3
InChIKeyOHLLVHJEESMMJF-UHFFFAOYSA-N
XLogP1.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.36
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
(1-Cyclohex-2-en-1-yl-3-fluoropiperidin-3-yl)methanol
CID 126770405
[(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
[(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 (1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol?
The IUPAC name of (1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol (CID 130734798) is (1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol.
What is the SMILES notation for (1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol?
The canonical SMILES for (1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol is C=CC(C)N1CCCC(F)(CO)C1.
What is the InChIKey of (1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol?
The InChIKey is OHLLVHJEESMMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-3-9(2)12-6-4-5-10(11,7-12)8-13/h3,9,13H,1,4-8H2,2H3.
What are the key properties of (1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol?
(1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol has a molecular weight of 187.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-3-en-2-yl-3-fluoropiperidin-3-yl)methanol is sourced from PubChem (CID 130734798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).