1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide

C20H29BrN2O — CID 3043848

IUPAC1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide
SMILESBr.Cc1c2n(c3ccccc13)CCOC2(C)CCN1CCCCC1
InChIInChI=1S/C20H28N2O.BrH/c1-16-17-8-4-5-9-18(17)22-14-15-23-20(2,19(16)22)10-13-21-11-6-3-7-12-21;/h4-5,8-9H,3,6-7,10-15H2,1-2H3;1H
InChIKeyABBHXYWNFHTFPP-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.65
Rot. Bonds3

About 1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide

1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide (PubChem CID 3043848) has the molecular formula C20H29BrN2O and a molecular weight of 393.37 g/mol. Its IUPAC name is 1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide.

Molecular Properties

Compound Name1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide
PubChem CID3043848
Molecular FormulaC20H29BrN2O
Molecular Weight393.37 g/mol
Exact Mass392.15
IUPAC Name1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide
SMILESBr.Cc1c2n(c3ccccc13)CCOC2(C)CCN1CCCCC1
InChIInChI=1S/C20H28N2O.BrH/c1-16-17-8-4-5-9-18(17)22-14-15-23-20(2,19(16)22)10-13-21-11-6-3-7-12-21;/h4-5,8-9H,3,6-7,10-15H2,1-2H3;1H
InChIKeyABBHXYWNFHTFPP-UHFFFAOYSA-N
XLogP4.65
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide?
The IUPAC name of 1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide (CID 3043848) is 1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide.
What is the SMILES notation for 1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide?
The canonical SMILES for 1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide is Br.Cc1c2n(c3ccccc13)CCOC2(C)CCN1CCCCC1.
What is the InChIKey of 1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide?
The InChIKey is ABBHXYWNFHTFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O.BrH/c1-16-17-8-4-5-9-18(17)22-14-15-23-20(2,19(16)22)10-13-21-11-6-3-7-12-21;/h4-5,8-9H,3,6-7,10-15H2,1-2H3;1H.
What are the key properties of 1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide?
1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide has a molecular weight of 393.37 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydro-[1,4]oxazino[4,3-a]indole;hydrobromide is sourced from PubChem (CID 3043848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).