3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole

C15H19BrN2O — CID 84646082

IUPAC3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole
SMILESCOc1ccc(C)c2c(Br)c(C3CCCCN3)[nH]c12
InChIInChI=1S/C15H19BrN2O/c1-9-6-7-11(19-2)15-12(9)13(16)14(18-15)10-5-3-4-8-17-10/h6-7,10,17-18H,3-5,8H2,1-2H3
InChIKeyBROUSFMAECURDN-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.06
Rot. Bonds2

About 3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole

3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole (PubChem CID 84646082) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole.

Molecular Properties

Compound Name3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole
PubChem CID84646082
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole
SMILESCOc1ccc(C)c2c(Br)c(C3CCCCN3)[nH]c12
InChIInChI=1S/C15H19BrN2O/c1-9-6-7-11(19-2)15-12(9)13(16)14(18-15)10-5-3-4-8-17-10/h6-7,10,17-18H,3-5,8H2,1-2H3
InChIKeyBROUSFMAECURDN-UHFFFAOYSA-N
XLogP4.06
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-7-methoxy-2-pyrrolidin-2-yl-1H-indole
CID 84646318
2-(2-bromo-6-methoxy-3-methylphenyl)piperidine
CID 84813026
3-bromo-6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84643966
2-(2-bromo-3-methoxyphenyl)piperidine
CID 84712674
2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine
CID 117499567
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
(2R)-2-(3-methoxyfuran-2-yl)piperidine
CID 131034188
2-(6-bromo-2,3-dimethoxyphenyl)piperidine
CID 117483535
2-(6-bromo-2-fluoro-3-methoxyphenyl)piperidine
CID 117465054
2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine
CID 84814358
2-(2,3-dichloro-4-methoxyphenyl)piperidine
CID 116962306
2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole?
The IUPAC name of 3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole (CID 84646082) is 3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole.
What is the SMILES notation for 3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole?
The canonical SMILES for 3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole is COc1ccc(C)c2c(Br)c(C3CCCCN3)[nH]c12.
What is the InChIKey of 3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole?
The InChIKey is BROUSFMAECURDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-9-6-7-11(19-2)15-12(9)13(16)14(18-15)10-5-3-4-8-17-10/h6-7,10,17-18H,3-5,8H2,1-2H3.
What are the key properties of 3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole?
3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole has a molecular weight of 323.23 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methoxy-4-methyl-2-piperidin-2-yl-1H-indole is sourced from PubChem (CID 84646082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).