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

C21H31Cl2N3O — CID 70083319

IUPAC9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole;hydrate;dihydrochloride
SMILESCC1CN(CCCn2c3ccccc3c3ccccc32)CC(C)N1.Cl.Cl.O
InChIInChI=1S/C21H27N3.2ClH.H2O/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;2*1H;1H2
InChIKeyKBDPRNVDBYQTMS-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.89
Rot. Bonds4

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

9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole;hydrate;dihydrochloride (PubChem CID 70083319) has the molecular formula C21H31Cl2N3O and a molecular weight of 412.41 g/mol. Its IUPAC name is 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole;hydrate;dihydrochloride.

Molecular Properties

Compound Name9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole;hydrate;dihydrochloride
PubChem CID70083319
Molecular FormulaC21H31Cl2N3O
Molecular Weight412.41 g/mol
Exact Mass411.18
IUPAC Name9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole;hydrate;dihydrochloride
SMILESCC1CN(CCCn2c3ccccc3c3ccccc32)CC(C)N1.Cl.Cl.O
InChIInChI=1S/C21H27N3.2ClH.H2O/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;2*1H;1H2
InChIKeyKBDPRNVDBYQTMS-UHFFFAOYSA-N
XLogP3.89
TPSA51.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.89
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;hydrate;dihydrochloride?
The IUPAC name of 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole;hydrate;dihydrochloride (CID 70083319) is 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole;hydrate;dihydrochloride.
What is the SMILES notation for 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole;hydrate;dihydrochloride?
The canonical SMILES for 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole;hydrate;dihydrochloride is CC1CN(CCCn2c3ccccc3c3ccccc32)CC(C)N1.Cl.Cl.O.
What is the InChIKey of 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole;hydrate;dihydrochloride?
The InChIKey is KBDPRNVDBYQTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3.2ClH.H2O/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;2*1H;1H2.
What are the key properties of 9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole;hydrate;dihydrochloride?
9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole;hydrate;dihydrochloride has a molecular weight of 412.41 g/mol, XLogP of 3.89, 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;hydrate;dihydrochloride is sourced from PubChem (CID 70083319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).