cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone

C19H26N2O2 — CID 142769016

IUPACcyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone
SMILESO=C(C1CCCCC1)N1CCN2CCc3ccccc3C2C1O
InChIInChI=1S/C19H26N2O2/c22-18(15-7-2-1-3-8-15)21-13-12-20-11-10-14-6-4-5-9-16(14)17(20)19(21)23/h4-6,9,15,17,19,23H,1-3,7-8,10-13H2
InChIKeyJTLUIDHGBUMBPJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.33
Rot. Bonds1

About cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone

cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone (PubChem CID 142769016) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone
PubChem CID142769016
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Namecyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone
SMILESO=C(C1CCCCC1)N1CCN2CCc3ccccc3C2C1O
InChIInChI=1S/C19H26N2O2/c22-18(15-7-2-1-3-8-15)21-13-12-20-11-10-14-6-4-5-9-16(14)17(20)19(21)23/h4-6,9,15,17,19,23H,1-3,7-8,10-13H2
InChIKeyJTLUIDHGBUMBPJ-UHFFFAOYSA-N
XLogP2.33
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone with MolForge

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Related Compounds

2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232405
(1R,2R)-1-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 14476580
cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400666
N-(cyclohexylmethyl)-2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53167592
[(3S)-3-[(1R)-1-benzyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]piperidin-1-yl]-cyclopropylmethanone
CID 97245302
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 110288908
2-[(3S)-piperidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 81133703
2-(cyclopentanecarbonyl)-1,6,7,11b-tetrahydropyrazino[2,1-a]isoquinoline-3,4-dione
CID 57397273
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2S)-2-hydroxycyclohexyl]methylamino]ethanone
CID 70923031
2-(1-ethylsulfonylpiperidine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212681
(1S,2S)-1-pyrrolidin-1-yl-2,3-dihydro-1H-inden-2-ol
CID 14126785

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone?
The IUPAC name of cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone (CID 142769016) is cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone.
What is the SMILES notation for cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone?
The canonical SMILES for cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone is O=C(C1CCCCC1)N1CCN2CCc3ccccc3C2C1O.
What is the InChIKey of cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone?
The InChIKey is JTLUIDHGBUMBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-18(15-7-2-1-3-8-15)21-13-12-20-11-10-14-6-4-5-9-16(14)17(20)19(21)23/h4-6,9,15,17,19,23H,1-3,7-8,10-13H2.
What are the key properties of cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone?
cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone has a molecular weight of 314.43 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone is sourced from PubChem (CID 142769016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).