4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol

C16H24N2O — CID 21116508

IUPAC4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol
SMILESCC(O)CCN1CCN2c3ccccc3CCC2C1
InChIInChI=1S/C16H24N2O/c1-13(19)8-9-17-10-11-18-15(12-17)7-6-14-4-2-3-5-16(14)18/h2-5,13,15,19H,6-12H2,1H3
InChIKeyBMKJDAZPUVKOAD-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.89
Rot. Bonds3

About 4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol

4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol (PubChem CID 21116508) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol
PubChem CID21116508
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol
SMILESCC(O)CCN1CCN2c3ccccc3CCC2C1
InChIInChI=1S/C16H24N2O/c1-13(19)8-9-17-10-11-18-15(12-17)7-6-14-4-2-3-5-16(14)18/h2-5,13,15,19H,6-12H2,1H3
InChIKeyBMKJDAZPUVKOAD-UHFFFAOYSA-N
XLogP1.89
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol with MolForge

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Related Compounds

2-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]isoindole-1,3-dione
CID 139703019
(4aR)-3-(2-pyridin-2-ylethyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
CID 125482012
N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-3-methylthiophene-2-carboxamide
CID 139703064
N-[4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butyl]-2,6-difluorobenzamide;hydrochloride
CID 139703055
(4aR)-3-[(2-phenylphenyl)methyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
CID 151381048
N-[2-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl]-2,4-difluorobenzamide
CID 139703076
N-[4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butyl]-4-fluorobenzamide
CID 139703046
N-[4-[(4aR)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl]butyl]naphthalene-2-carboxamide
CID 11464115
N-[4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 139703041
3-[3-(5-fluoro-2-methylbenzimidazol-1-yl)propyl]-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline
CID 67554634
N-[4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butyl]-4-nitrobenzamide;dihydrochloride
CID 139703058
(4aR)-3-benzyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-8-carboxylic acid
CID 68803609

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol?
The IUPAC name of 4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol (CID 21116508) is 4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol.
What is the SMILES notation for 4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol?
The canonical SMILES for 4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol is CC(O)CCN1CCN2c3ccccc3CCC2C1.
What is the InChIKey of 4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol?
The InChIKey is BMKJDAZPUVKOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(19)8-9-17-10-11-18-15(12-17)7-6-14-4-2-3-5-16(14)18/h2-5,13,15,19H,6-12H2,1H3.
What are the key properties of 4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol?
4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol has a molecular weight of 260.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)butan-2-ol is sourced from PubChem (CID 21116508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).