3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride

C23H31Cl2N3 — CID 171282180

IUPAC3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride
SMILESCCn1c2ccccc2c2cc([C@H](C3CCC3)N3CCNCC3)ccc21.Cl.Cl
InChIInChI=1S/C23H29N3.2ClH/c1-2-26-21-9-4-3-8-19(21)20-16-18(10-11-22(20)26)23(17-6-5-7-17)25-14-12-24-13-15-25;;/h3-4,8-11,16-17,23-24H,2,5-7,12-15H2,1H3;2*1H/t23-;;/m0../s1
InChIKeyCBAMTASTLXJXRD-IFUPQEAVSA-N
MW420.43 g/mol
LogP5.40
Rot. Bonds4

About 3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride

3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride (PubChem CID 171282180) has the molecular formula C23H31Cl2N3 and a molecular weight of 420.43 g/mol. Its IUPAC name is 3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride.

Molecular Properties

Compound Name3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride
PubChem CID171282180
Molecular FormulaC23H31Cl2N3
Molecular Weight420.43 g/mol
Exact Mass419.19
IUPAC Name3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride
SMILESCCn1c2ccccc2c2cc([C@H](C3CCC3)N3CCNCC3)ccc21.Cl.Cl
InChIInChI=1S/C23H29N3.2ClH/c1-2-26-21-9-4-3-8-19(21)20-16-18(10-11-22(20)26)23(17-6-5-7-17)25-14-12-24-13-15-25;;/h3-4,8-11,16-17,23-24H,2,5-7,12-15H2,1H3;2*1H/t23-;;/m0../s1
InChIKeyCBAMTASTLXJXRD-IFUPQEAVSA-N
XLogP5.40
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 171282163
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CID 171189705
9-ethyl-3-[(1R)-3-methyl-1-piperazin-1-ylbut-3-enyl]carbazole;dihydrochloride
CID 171294822
9-ethyl-3-[(1R)-1-piperazin-1-ylbut-3-enyl]carbazole
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(1S,2R)-2-amino-1-cyclopentyl-2-(9-ethylcarbazol-3-yl)ethanol
CID 171264885
1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
CID 171274893
1-[(S)-cyclobutyl-(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171280342
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
(1S,2R)-2-amino-1-cyclopropyl-2-(9-ethylcarbazol-3-yl)ethanol;hydrochloride
CID 171264882
(R)-cyclopropyl-(9-ethylcarbazol-3-yl)methanamine
CID 171213067
1-[(S)-cyclobutyl-(3-ethoxy-4-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280900

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride?
The IUPAC name of 3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride (CID 171282180) is 3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride.
What is the SMILES notation for 3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride?
The canonical SMILES for 3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride is CCn1c2ccccc2c2cc([C@H](C3CCC3)N3CCNCC3)ccc21.Cl.Cl.
What is the InChIKey of 3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride?
The InChIKey is CBAMTASTLXJXRD-IFUPQEAVSA-N. The full InChI is InChI=1S/C23H29N3.2ClH/c1-2-26-21-9-4-3-8-19(21)20-16-18(10-11-22(20)26)23(17-6-5-7-17)25-14-12-24-13-15-25;;/h3-4,8-11,16-17,23-24H,2,5-7,12-15H2,1H3;2*1H/t23-;;/m0../s1.
What are the key properties of 3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride?
3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride has a molecular weight of 420.43 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-cyclobutyl(piperazin-1-yl)methyl]-9-ethylcarbazole;dihydrochloride is sourced from PubChem (CID 171282180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).