6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol

C17H24BrNO — CID 58950985

IUPAC6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCN1CCC(C2(O)c3cc(Br)ccc3CC2(C)C)CC1
InChIInChI=1S/C17H24BrNO/c1-16(2)11-12-4-5-14(18)10-15(12)17(16,20)13-6-8-19(3)9-7-13/h4-5,10,13,20H,6-9,11H2,1-3H3
InChIKeyYFZGRJUESAEALJ-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.56
Rot. Bonds1

About 6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol

6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 58950985) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID58950985
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCN1CCC(C2(O)c3cc(Br)ccc3CC2(C)C)CC1
InChIInChI=1S/C17H24BrNO/c1-16(2)11-12-4-5-14(18)10-15(12)17(16,20)13-6-8-19(3)9-7-13/h4-5,10,13,20H,6-9,11H2,1-3H3
InChIKeyYFZGRJUESAEALJ-UHFFFAOYSA-N
XLogP3.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 58950985) is 6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is CN1CCC(C2(O)c3cc(Br)ccc3CC2(C)C)CC1.
What is the InChIKey of 6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is YFZGRJUESAEALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-16(2)11-12-4-5-14(18)10-15(12)17(16,20)13-6-8-19(3)9-7-13/h4-5,10,13,20H,6-9,11H2,1-3H3.
What are the key properties of 6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 338.29 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 58950985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).