(3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol

C9H16FNO — CID 130708822

IUPAC(3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol
SMILESC=CCN1CCCC(F)(CO)C1
InChIInChI=1S/C9H16FNO/c1-2-5-11-6-3-4-9(10,7-11)8-12/h2,12H,1,3-8H2
InChIKeyQNRHGWINQPEECQ-UHFFFAOYSA-N
MW173.23 g/mol
LogP0.97
Rot. Bonds3

About (3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol

(3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol (PubChem CID 130708822) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol
PubChem CID130708822
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol
SMILESC=CCN1CCCC(F)(CO)C1
InChIInChI=1S/C9H16FNO/c1-2-5-11-6-3-4-9(10,7-11)8-12/h2,12H,1,3-8H2
InChIKeyQNRHGWINQPEECQ-UHFFFAOYSA-N
XLogP0.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 50.97
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)-4,4-difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl]methanol
CID 171479044
(4,4-Difluoro-3-methyl-1-prop-2-enylpiperidin-3-yl)methanol
CID 175554830
[3-Fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol
CID 126782095
[(3S)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol
CID 129321937
[(3R)-3-fluoro-1-(2-methylprop-2-enyl)piperidin-3-yl]methanol
CID 129321938
[1-(2-Chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol
CID 130616482
[1-(2-Bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol
CID 130676230
(1-But-3-en-2-yl-3-fluoropiperidin-3-yl)methanol
CID 130734798
(4,4-Difluoro-1-prop-2-enylpiperidin-3-yl)methanol
CID 131038216
[3-Fluoro-1-(3-methylbut-2-enyl)piperidin-3-yl]methanol
CID 167848859
[(3R)-1-prop-2-enylpiperidin-3-yl]methanol
CID 11084113

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol?
The IUPAC name of (3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol (CID 130708822) is (3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol.
What is the SMILES notation for (3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol?
The canonical SMILES for (3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol is C=CCN1CCCC(F)(CO)C1.
What is the InChIKey of (3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol?
The InChIKey is QNRHGWINQPEECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-2-5-11-6-3-4-9(10,7-11)8-12/h2,12H,1,3-8H2.
What are the key properties of (3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol?
(3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol has a molecular weight of 173.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1-prop-2-enylpiperidin-3-yl)methanol is sourced from PubChem (CID 130708822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).