4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine

C15H29N3O — CID 102571272

IUPAC4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine
SMILESC1CCC2C(C1)NCCN2CCCN1CCOCC1
InChIInChI=1S/C15H29N3O/c1-2-5-15-14(4-1)16-6-9-18(15)8-3-7-17-10-12-19-13-11-17/h14-16H,1-13H2
InChIKeyFRFDEVZEFBXLLQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.93
Rot. Bonds4

About 4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine

4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine (PubChem CID 102571272) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine
PubChem CID102571272
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine
SMILESC1CCC2C(C1)NCCN2CCCN1CCOCC1
InChIInChI=1S/C15H29N3O/c1-2-5-15-14(4-1)16-6-9-18(15)8-3-7-17-10-12-19-13-11-17/h14-16H,1-13H2
InChIKeyFRFDEVZEFBXLLQ-UHFFFAOYSA-N
XLogP0.93
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine 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

4-[3-(7-methyl-1,4-diazepan-1-yl)propyl]morpholine
CID 82243837
2-(1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazin-4-yl)-N,N-dimethylethanamine
CID 102571338
4-[3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propyl]morpholine;dihydrochloride
CID 131882343
4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 130581230
4-[2-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]ethyl]morpholine
CID 128917741
1-methyl-4-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]piperazine
CID 82892557
4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 130581237
4-[3-[1-(4-aminobutyl)pyrrolidin-2-yl]piperazin-1-yl]butan-1-amine
CID 145151259
1-(2-fluoroethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 80693813
4-[(E)-but-2-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 130581238
[(2R)-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-yl]methanol
CID 111487572
N'-(3-morpholin-4-ylpropyl)cyclopentanecarboximidamide
CID 63175576

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine?
The IUPAC name of 4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine (CID 102571272) is 4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine is C1CCC2C(C1)NCCN2CCCN1CCOCC1.
What is the InChIKey of 4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine?
The InChIKey is FRFDEVZEFBXLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-5-15-14(4-1)16-6-9-18(15)8-3-7-17-10-12-19-13-11-17/h14-16H,1-13H2.
What are the key properties of 4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine?
4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine has a molecular weight of 267.42 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl)propyl]morpholine is sourced from PubChem (CID 102571272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).