3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole

C14H17BrN2O — CID 84645185

IUPAC3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole
SMILESCOc1ccc2[nH]c(C3CCCNC3)c(Br)c2c1
InChIInChI=1S/C14H17BrN2O/c1-18-10-4-5-12-11(7-10)13(15)14(17-12)9-3-2-6-16-8-9/h4-5,7,9,16-17H,2-3,6,8H2,1H3
InChIKeyIXMREQDDUXCDRM-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.41
Rot. Bonds2

About 3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole

3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole (PubChem CID 84645185) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole.

Molecular Properties

Compound Name3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole
PubChem CID84645185
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole
SMILESCOc1ccc2[nH]c(C3CCCNC3)c(Br)c2c1
InChIInChI=1S/C14H17BrN2O/c1-18-10-4-5-12-11(7-10)13(15)14(17-12)9-3-2-6-16-8-9/h4-5,7,9,16-17H,2-3,6,8H2,1H3
InChIKeyIXMREQDDUXCDRM-UHFFFAOYSA-N
XLogP3.41
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole?
The IUPAC name of 3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole (CID 84645185) is 3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole.
What is the SMILES notation for 3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole?
The canonical SMILES for 3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole is COc1ccc2[nH]c(C3CCCNC3)c(Br)c2c1.
What is the InChIKey of 3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole?
The InChIKey is IXMREQDDUXCDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-18-10-4-5-12-11(7-10)13(15)14(17-12)9-3-2-6-16-8-9/h4-5,7,9,16-17H,2-3,6,8H2,1H3.
What are the key properties of 3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole?
3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole has a molecular weight of 309.21 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-2-piperidin-3-yl-1H-indole is sourced from PubChem (CID 84645185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).