9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole

C21H27N3 — CID 5072

IUPAC9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole
SMILESCC1CN(CCCn2c3ccccc3c3ccccc32)CC(C)N1
InChIInChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3
InChIKeyGUDVQJXODNJRIJ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.87
Rot. Bonds4

About 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole

9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole (PubChem CID 5072) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole.

Molecular Properties

Compound Name9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole
PubChem CID5072
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole
SMILESCC1CN(CCCn2c3ccccc3c3ccccc32)CC(C)N1
InChIInChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3
InChIKeyGUDVQJXODNJRIJ-UHFFFAOYSA-N
XLogP3.87
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole?
The IUPAC name of 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole (CID 5072) is 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole.
What is the SMILES notation for 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole?
The canonical SMILES for 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole is CC1CN(CCCn2c3ccccc3c3ccccc32)CC(C)N1.
What is the InChIKey of 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole?
The InChIKey is GUDVQJXODNJRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3.
What are the key properties of 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole?
9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole has a molecular weight of 321.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole is sourced from PubChem (CID 5072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).