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

C13H18N2O — CID 20824946

IUPAC[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]methanol
SMILESC[C@@H]1CNC[C@H]2Cc3ccc(CO)cc3N21
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/t9-,12-/m1/s1
InChIKeyPLKQFDHSUAGPKA-BXKDBHETSA-N
MW218.30 g/mol
LogP0.90
Rot. Bonds1

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

[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]methanol (PubChem CID 20824946) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]methanol.

Molecular Properties

Compound Name[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]methanol
PubChem CID20824946
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]methanol
SMILESC[C@@H]1CNC[C@H]2Cc3ccc(CO)cc3N21
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/t9-,12-/m1/s1
InChIKeyPLKQFDHSUAGPKA-BXKDBHETSA-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

Analyze [(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[3-(4-Phenylpiperazin-1-yl)propylamino]phenyl]methanol
CID 90656690
(2,3-dihydro-1H-indol-4-yl)methanol
CID 11389477
(2,3-dihydro-1H-indol-6-yl)methanol
CID 20666213
(5-Amino-2-(4-methylpiperazin-1-yl)phenyl)methanol
CID 36995517
(1,2,3,4-Tetrahydroquinolin-7-yl)methanol
CID 66723433
2-(2,3-dihydro-1H-indol-6-yl)propan-2-ol
CID 84656120
1-(2,4-Difluoro-5-piperazin-1-ylphenyl)ethanol
CID 20785245
1-(2-Fluoro-5-piperazin-1-ylphenyl)ethanol
CID 20785288
1-(4-Fluoro-3-piperazin-1-ylphenyl)propan-1-ol
CID 20785352
(4-Fluoro-3-piperazin-1-ylphenyl)methanol
CID 20785507
Cyclopropyl-(4-fluoro-3-piperazin-1-ylphenyl)methanol
CID 20785609
1-[1-(4-Fluorophenethyl)piperidin-4-yl]-6-hydroxymethylindoline
CID 22037891

Frequently Asked Questions

What is the IUPAC name of [(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]methanol?
The IUPAC name of [(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]methanol (CID 20824946) is [(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]methanol.
What is the SMILES notation for [(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]methanol?
The canonical SMILES for [(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]methanol is C[C@@H]1CNC[C@H]2Cc3ccc(CO)cc3N21.
What is the InChIKey of [(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]methanol?
The InChIKey is PLKQFDHSUAGPKA-BXKDBHETSA-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/t9-,12-/m1/s1.
What are the key properties of [(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]methanol?
[(4R,10aR)-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 [(4R,10aR)-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indol-7-yl]methanol is sourced from PubChem (CID 20824946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).