3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole

C15H19BrN2O — CID 84646062

IUPAC3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole
SMILESCOc1cccc2c(Br)c(C3CCNCC3)n(C)c12
InChIInChI=1S/C15H19BrN2O/c1-18-14(10-6-8-17-9-7-10)13(16)11-4-3-5-12(19-2)15(11)18/h3-5,10,17H,6-9H2,1-2H3
InChIKeyATFVXRYWJHLECQ-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.42
Rot. Bonds2

About 3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole

3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole (PubChem CID 84646062) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole.

Molecular Properties

Compound Name3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole
PubChem CID84646062
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole
SMILESCOc1cccc2c(Br)c(C3CCNCC3)n(C)c12
InChIInChI=1S/C15H19BrN2O/c1-18-14(10-6-8-17-9-7-10)13(16)11-4-3-5-12(19-2)15(11)18/h3-5,10,17H,6-9H2,1-2H3
InChIKeyATFVXRYWJHLECQ-UHFFFAOYSA-N
XLogP3.42
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-piperidin-4-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
CID 84644817
1,3,7-trimethyl-2-piperidin-4-ylindole
CID 84630479
(3-bromo-7-methoxy-1-methylindol-2-yl)methanol
CID 115050313
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898
3-bromo-5-tert-butyl-1-methyl-2-piperidin-4-ylindole
CID 84646915
4-(2-methoxyphenyl)piperidine
CID 544738
(3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine
CID 83918424
7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole
CID 84632352
8-methoxy-1-methyl-3-piperidin-3-ylquinazoline-2,4-dione
CID 117263164
7-methoxy-1-piperidin-4-ylbenzimidazole;hydrochloride
CID 91798531
1,3-dimethyl-2-piperidin-4-ylindole
CID 84625558
4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117469472

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole?
The IUPAC name of 3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole (CID 84646062) is 3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole.
What is the SMILES notation for 3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole?
The canonical SMILES for 3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole is COc1cccc2c(Br)c(C3CCNCC3)n(C)c12.
What is the InChIKey of 3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole?
The InChIKey is ATFVXRYWJHLECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-18-14(10-6-8-17-9-7-10)13(16)11-4-3-5-12(19-2)15(11)18/h3-5,10,17H,6-9H2,1-2H3.
What are the key properties of 3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole?
3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole has a molecular weight of 323.23 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole is sourced from PubChem (CID 84646062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).