4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine

C17H23N3O — CID 171396484

IUPAC4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine
SMILESc1ccc2c3c([nH]c2c1)[C@H](CCN1CCOCC1)NCC3
InChIInChI=1S/C17H23N3O/c1-2-4-15-13(3-1)14-5-7-18-16(17(14)19-15)6-8-20-9-11-21-12-10-20/h1-4,16,18-19H,5-12H2/t16-/m0/s1
InChIKeyNSKZXPFDRNKJPG-INIZCTEOSA-N
MW285.39 g/mol
LogP2.08
Rot. Bonds3

About 4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine

4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine (PubChem CID 171396484) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine
PubChem CID171396484
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine
SMILESc1ccc2c3c([nH]c2c1)[C@H](CCN1CCOCC1)NCC3
InChIInChI=1S/C17H23N3O/c1-2-4-15-13(3-1)14-5-7-18-16(17(14)19-15)6-8-20-9-11-21-12-10-20/h1-4,16,18-19H,5-12H2/t16-/m0/s1
InChIKeyNSKZXPFDRNKJPG-INIZCTEOSA-N
XLogP2.08
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine with MolForge

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Related Compounds

1-[2-(1-azacycloundec-6-en-1-yl)ethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 74052654
2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)ethanamine;dihydrochloride
CID 132585352
4-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]morpholine
CID 82048427
N,N-dimethyl-1-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methanamine
CID 10014060
2-[3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)propyl]guanidine
CID 14162516
2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide
CID 86001661
(1R)-1-methyl-N-(2-morpholin-4-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 94678301
(1R)-1-(4-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 6938357
(1R)-1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 770530
(1S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 135054905
1-[(2-nitrophenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 15293063
(1S)-1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 6919090

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine (CID 171396484) is 4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine is c1ccc2c3c([nH]c2c1)[C@H](CCN1CCOCC1)NCC3.
What is the InChIKey of 4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine?
The InChIKey is NSKZXPFDRNKJPG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-4-15-13(3-1)14-5-7-18-16(17(14)19-15)6-8-20-9-11-21-12-10-20/h1-4,16,18-19H,5-12H2/t16-/m0/s1.
What are the key properties of 4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine?
4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine has a molecular weight of 285.39 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]morpholine is sourced from PubChem (CID 171396484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).