9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole

C22H27N3 — CID 171294795

IUPAC9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole
SMILESC=CC[C@H](c1ccc2c(c1)c1ccccc1n2CC)N1CCNCC1
InChIInChI=1S/C22H27N3/c1-3-7-20(24-14-12-23-13-15-24)17-10-11-22-19(16-17)18-8-5-6-9-21(18)25(22)4-2/h3,5-6,8-11,16,20,23H,1,4,7,12-15H2,2H3/t20-/m1/s1
InChIKeyAZJZURSYISBBRG-HXUWFJFHSA-N
MW333.48 g/mol
LogP4.34
Rot. Bonds5

About 9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole

9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole (PubChem CID 171294795) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole
PubChem CID171294795
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole
SMILESC=CC[C@H](c1ccc2c(c1)c1ccccc1n2CC)N1CCNCC1
InChIInChI=1S/C22H27N3/c1-3-7-20(24-14-12-23-13-15-24)17-10-11-22-19(16-17)18-8-5-6-9-21(18)25(22)4-2/h3,5-6,8-11,16,20,23H,1,4,7,12-15H2,2H3/t20-/m1/s1
InChIKeyAZJZURSYISBBRG-HXUWFJFHSA-N
XLogP4.34
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-ethyl-3-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride
CID 171294822
(3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189705
9-ethyl-3-[(1S)-1-piperazin-1-ylethyl]carbazole
CID 171282163
3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride
CID 171282180
1-[(1R)-1-(4-ethylphenyl)but-3-enyl]piperazine
CID 171293770
1-[(1R)-1-(4-methylphenyl)but-3-enyl]piperazine
CID 171294160
1-[(1R)-1-(3,4-dichlorophenyl)but-3-enyl]piperazine
CID 171287548
1-[(1S)-1-(4-ethylphenyl)but-3-enyl]piperazine;dihydrochloride
CID 171281149
1-[(1S)-1-(3-fluoro-4-methylphenyl)but-3-enyl]piperazine;hydrochloride
CID 171164286
2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171287186
1-[(1R)-1-(3-bromo-4-fluorophenyl)but-3-enyl]piperazine
CID 171168658
6-[(1S)-1-piperazin-1-ylbut-3-enyl]-1H-indole;dihydrochloride
CID 171277858

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole?
The IUPAC name of 9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole (CID 171294795) is 9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole is C=CC[C@H](c1ccc2c(c1)c1ccccc1n2CC)N1CCNCC1.
What is the InChIKey of 9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole?
The InChIKey is AZJZURSYISBBRG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N3/c1-3-7-20(24-14-12-23-13-15-24)17-10-11-22-19(16-17)18-8-5-6-9-21(18)25(22)4-2/h3,5-6,8-11,16,20,23H,1,4,7,12-15H2,2H3/t20-/m1/s1.
What are the key properties of 9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole?
9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole has a molecular weight of 333.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole is sourced from PubChem (CID 171294795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).