(4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol

C13H18N2O — CID 22338217

IUPAC(4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol
SMILESCC1CNCC2Cc3ccc(CO)cc3N12
InChIInChI=1S/C13H18N2O/c1-9-6-14-7-12-5-11-3-2-10(8-16)4-13(11)15(9)12/h2-4,9,12,14,16H,5-8H2,1H3
InChIKeyPLKQFDHSUAGPKA-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.90
Rot. Bonds1

About (4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol

(4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol (PubChem CID 22338217) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol.

Molecular Properties

Compound Name(4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol
PubChem CID22338217
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol
SMILESCC1CNCC2Cc3ccc(CO)cc3N12
InChIInChI=1S/C13H18N2O/c1-9-6-14-7-12-5-11-3-2-10(8-16)4-13(11)15(9)12/h2-4,9,12,14,16H,5-8H2,1H3
InChIKeyPLKQFDHSUAGPKA-UHFFFAOYSA-N
XLogP0.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol?
The IUPAC name of (4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol (CID 22338217) is (4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol.
What is the SMILES notation for (4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol?
The canonical SMILES for (4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol is CC1CNCC2Cc3ccc(CO)cc3N12.
What is the InChIKey of (4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol?
The InChIKey is PLKQFDHSUAGPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-6-14-7-12-5-11-3-2-10(8-16)4-13(11)15(9)12/h2-4,9,12,14,16H,5-8H2,1H3.
What are the key properties of (4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol?
(4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol has a molecular weight of 218.30 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl)methanol is sourced from PubChem (CID 22338217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).