3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole

C18H21N3 — CID 4063198

IUPAC3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole
SMILESCc1cc(N2CCN(C)CC2)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C18H21N3/c1-13-11-15-14-5-3-4-6-16(14)19-18(15)17(12-13)21-9-7-20(2)8-10-21/h3-6,11-12,19H,7-10H2,1-2H3
InChIKeyZSGUQCGAGSZCST-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.38
Rot. Bonds1

About 3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole

3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole (PubChem CID 4063198) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole.

Molecular Properties

Compound Name3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole
PubChem CID4063198
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole
SMILESCc1cc(N2CCN(C)CC2)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C18H21N3/c1-13-11-15-14-5-3-4-6-16(14)19-18(15)17(12-13)21-9-7-20(2)8-10-21/h3-6,11-12,19H,7-10H2,1-2H3
InChIKeyZSGUQCGAGSZCST-UHFFFAOYSA-N
XLogP3.38
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole?
The IUPAC name of 3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole (CID 4063198) is 3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole.
What is the SMILES notation for 3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole?
The canonical SMILES for 3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole is Cc1cc(N2CCN(C)CC2)c2[nH]c3ccccc3c2c1.
What is the InChIKey of 3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole?
The InChIKey is ZSGUQCGAGSZCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13-11-15-14-5-3-4-6-16(14)19-18(15)17(12-13)21-9-7-20(2)8-10-21/h3-6,11-12,19H,7-10H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole?
3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole has a molecular weight of 279.39 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpiperazin-1-yl)-9H-carbazole is sourced from PubChem (CID 4063198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).