[1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol

C9H15BrFNO — CID 130676230

IUPAC[1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol
SMILESC=C(Br)CN1CCCC(F)(CO)C1
InChIInChI=1S/C9H15BrFNO/c1-8(10)5-12-4-2-3-9(11,6-12)7-13/h13H,1-7H2
InChIKeyKHKOHOUKNBJDFN-UHFFFAOYSA-N
MW252.13 g/mol
LogP1.69
Rot. Bonds3

About [1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol

[1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol (PubChem CID 130676230) has the molecular formula C9H15BrFNO and a molecular weight of 252.13 g/mol. Its IUPAC name is [1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol
PubChem CID130676230
Molecular FormulaC9H15BrFNO
Molecular Weight252.13 g/mol
Exact Mass251.03
IUPAC Name[1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol
SMILESC=C(Br)CN1CCCC(F)(CO)C1
InChIInChI=1S/C9H15BrFNO/c1-8(10)5-12-4-2-3-9(11,6-12)7-13/h13H,1-7H2
InChIKeyKHKOHOUKNBJDFN-UHFFFAOYSA-N
XLogP1.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.13
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[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
(3-Fluoro-1-prop-2-enylpiperidin-3-yl)methanol
CID 130708822
[1-(2-Bromoprop-2-enyl)piperidin-3-yl]methanol
CID 62021568
[1-(2-Bromoprop-2-enyl)-3-methylpiperidin-3-yl]methanol
CID 112415869

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol?
The IUPAC name of [1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol (CID 130676230) is [1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol?
The canonical SMILES for [1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol is C=C(Br)CN1CCCC(F)(CO)C1.
What is the InChIKey of [1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol?
The InChIKey is KHKOHOUKNBJDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrFNO/c1-8(10)5-12-4-2-3-9(11,6-12)7-13/h13H,1-7H2.
What are the key properties of [1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol?
[1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol has a molecular weight of 252.13 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromoprop-2-enyl)-3-fluoropiperidin-3-yl]methanol is sourced from PubChem (CID 130676230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).