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

C10H18FNO — CID 129321937

IUPAC[(3S)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol
SMILESC=C(C)CN1CCC[C@@](F)(CO)C1
InChIInChI=1S/C10H18FNO/c1-9(2)6-12-5-3-4-10(11,7-12)8-13/h13H,1,3-8H2,2H3/t10-/m0/s1
InChIKeyVEEMNBKPFXRRBP-JTQLQIEISA-N
MW187.26 g/mol
LogP1.36
Rot. Bonds3

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

[(3S)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol (PubChem CID 129321937) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is [(3S)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol
PubChem CID129321937
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name[(3S)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol
SMILESC=C(C)CN1CCC[C@@](F)(CO)C1
InChIInChI=1S/C10H18FNO/c1-9(2)6-12-5-3-4-10(11,7-12)8-13/h13H,1,3-8H2,2H3/t10-/m0/s1
InChIKeyVEEMNBKPFXRRBP-JTQLQIEISA-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-(2-Fluoroethyl)-3-methylpiperidin-3-yl]methanol
CID 126990205
[(3S)-1-tert-butyl-3-fluoropiperidin-3-yl]methanol
CID 134429372
[(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]methanol
CID 134429393
[1-(2,2-Dimethylpropyl)-3-fluoropiperidin-3-yl]methanol
CID 169615235
[(3S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol
CID 170959092
[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 170959093
[(4E)-3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 171478959
(4-Fluoro-1,3-dimethylpiperidin-3-yl)methanol
CID 171478986
[(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

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol (CID 129321937) is [(3S)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol is C=C(C)CN1CCC[C@@](F)(CO)C1.
What is the InChIKey of [(3S)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol?
The InChIKey is VEEMNBKPFXRRBP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18FNO/c1-9(2)6-12-5-3-4-10(11,7-12)8-13/h13H,1,3-8H2,2H3/t10-/m0/s1.
What are the key properties of [(3S)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol?
[(3S)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-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 [(3S)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol is sourced from PubChem (CID 129321937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).