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

C23H31Cl2N3 — CID 171294822

IUPAC9-ethyl-3-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride
SMILESC=C(C)C[C@H](c1ccc2c(c1)c1ccccc1n2CC)N1CCNCC1.Cl.Cl
InChIInChI=1S/C23H29N3.2ClH/c1-4-26-21-8-6-5-7-19(21)20-16-18(9-10-22(20)26)23(15-17(2)3)25-13-11-24-12-14-25;;/h5-10,16,23-24H,2,4,11-15H2,1,3H3;2*1H/t23-;;/m1../s1
InChIKeyFQHQZDMBNMNXAV-MQWQBNKOSA-N
MW420.43 g/mol
LogP5.57
Rot. Bonds5

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

9-ethyl-3-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride (PubChem CID 171294822) has the molecular formula C23H31Cl2N3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 9-ethyl-3-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride.

Molecular Properties

Compound Name9-ethyl-3-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride
PubChem CID171294822
Molecular FormulaC23H31Cl2N3
Molecular Weight420.43 g/mol
Exact Mass419.19
IUPAC Name9-ethyl-3-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride
SMILESC=C(C)C[C@H](c1ccc2c(c1)c1ccccc1n2CC)N1CCNCC1.Cl.Cl
InChIInChI=1S/C23H29N3.2ClH/c1-4-26-21-8-6-5-7-19(21)20-16-18(9-10-22(20)26)23(15-17(2)3)25-13-11-24-12-14-25;;/h5-10,16,23-24H,2,4,11-15H2,1,3H3;2*1H/t23-;;/m1../s1
InChIKeyFQHQZDMBNMNXAV-MQWQBNKOSA-N
XLogP5.57
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 55.57
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

(3S)-3-(9-ethylcarbazol-3-yl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189705
9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole
CID 171294795
9-ethyl-3-[(1S)-1-piperazin-1-ylethyl]carbazole
CID 171282163
1-[(1S)-3-methyl-1-phenylbut-3-enyl]piperazine;dihydrochloride
CID 171282917
3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride
CID 171282180
1-[(1S)-1-(3-iodophenyl)-3-methylbut-3-enyl]piperazine
CID 171280724
1-[(1R)-1-(4-fluorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171285883
1-[(1R)-1-(3-bromophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171285967
1-[(1R)-1-(3-fluorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171285907
1-[(1S)-1-anthracen-9-yl-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171272103
1-[(1S)-1-(3-bromophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171273339
1-[(1R)-1-(4-chlorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171294207

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride?
The IUPAC name of 9-ethyl-3-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride (CID 171294822) is 9-ethyl-3-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride.
What is the SMILES notation for 9-ethyl-3-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride?
The canonical SMILES for 9-ethyl-3-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride is C=C(C)C[C@H](c1ccc2c(c1)c1ccccc1n2CC)N1CCNCC1.Cl.Cl.
What is the InChIKey of 9-ethyl-3-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride?
The InChIKey is FQHQZDMBNMNXAV-MQWQBNKOSA-N. The full InChI is InChI=1S/C23H29N3.2ClH/c1-4-26-21-8-6-5-7-19(21)20-16-18(9-10-22(20)26)23(15-17(2)3)25-13-11-24-12-14-25;;/h5-10,16,23-24H,2,4,11-15H2,1,3H3;2*1H/t23-;;/m1../s1.
What are the key properties of 9-ethyl-3-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride?
9-ethyl-3-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride has a molecular weight of 420.43 g/mol, XLogP of 5.57, 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)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride is sourced from PubChem (CID 171294822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).