4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine

C17H23N3O — CID 23149902

IUPAC4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine
SMILESc1ccc2c(c1)c1c(n2CCN2CCOCC2)CNCC1
InChIInChI=1S/C17H23N3O/c1-2-4-16-14(3-1)15-5-6-18-13-17(15)20(16)8-7-19-9-11-21-12-10-19/h1-4,18H,5-13H2
InChIKeyVYAVYKTWEXGSGB-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.62
Rot. Bonds3

About 4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine

4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine (PubChem CID 23149902) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine
PubChem CID23149902
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine
SMILESc1ccc2c(c1)c1c(n2CCN2CCOCC2)CNCC1
InChIInChI=1S/C17H23N3O/c1-2-4-16-14(3-1)15-5-6-18-13-17(15)20(16)8-7-19-9-11-21-12-10-19/h1-4,18H,5-13H2
InChIKeyVYAVYKTWEXGSGB-UHFFFAOYSA-N
XLogP1.62
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 147260960
9-(3-phenylpropyl)-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 66587884
4-[2-(1-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]morpholine
CID 86634532
4-methyl-N-[3-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)propyl]aniline
CID 155519134
4-bromo-N-[3-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)propyl]aniline
CID 155516889
N-hydroxy-4-[[6-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl]methyl]benzamide
CID 50899532
1-morpholin-4-yl-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 3131870
6-[2-(benzenesulfonyl)ethyl]-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
CID 22396915
N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide
CID 50899051
5-heptyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 66614798
9-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 70323464
N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 146398718

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine (CID 23149902) is 4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine is c1ccc2c(c1)c1c(n2CCN2CCOCC2)CNCC1.
What is the InChIKey of 4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine?
The InChIKey is VYAVYKTWEXGSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-4-16-14(3-1)15-5-6-18-13-17(15)20(16)8-7-19-9-11-21-12-10-19/h1-4,18H,5-13H2.
What are the key properties of 4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine?
4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine has a molecular weight of 285.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethyl]morpholine is sourced from PubChem (CID 23149902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).