[(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol

C13H20BrNO — CID 121373609

IUPAC[(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol
SMILESC=C1CCC(CO)N(C)/C1=C/C(Br)=C(C)C
InChIInChI=1S/C13H20BrNO/c1-9(2)12(14)7-13-10(3)5-6-11(8-16)15(13)4/h7,11,16H,3,5-6,8H2,1-2,4H3/b13-7+
InChIKeyPMHGETWKBZKKSC-NTUHNPAUSA-N
MW286.21 g/mol
LogP3.20
Rot. Bonds2

About [(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol

[(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol (PubChem CID 121373609) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is [(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol
PubChem CID121373609
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name[(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol
SMILESC=C1CCC(CO)N(C)/C1=C/C(Br)=C(C)C
InChIInChI=1S/C13H20BrNO/c1-9(2)12(14)7-13-10(3)5-6-11(8-16)15(13)4/h7,11,16H,3,5-6,8H2,1-2,4H3/b13-7+
InChIKeyPMHGETWKBZKKSC-NTUHNPAUSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol?
The IUPAC name of [(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol (CID 121373609) is [(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol.
What is the SMILES notation for [(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol?
The canonical SMILES for [(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol is C=C1CCC(CO)N(C)/C1=C/C(Br)=C(C)C.
What is the InChIKey of [(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol?
The InChIKey is PMHGETWKBZKKSC-NTUHNPAUSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-9(2)12(14)7-13-10(3)5-6-11(8-16)15(13)4/h7,11,16H,3,5-6,8H2,1-2,4H3/b13-7+.
What are the key properties of [(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol?
[(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol has a molecular weight of 286.21 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E)-6-(2-bromo-3-methylbut-2-enylidene)-1-methyl-5-methylidenepiperidin-2-yl]methanol is sourced from PubChem (CID 121373609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).