Rimcazole

C21H27N3 — CID 53389

IUPAC9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole
SMILESC[C@@H]1CN(C[C@@H](N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42
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/t16-,17+
InChIKeyGUDVQJXODNJRIJ-CALCHBBNSA-N
MW321.50 g/mol
LogP3.90
Rot. Bonds4

About Rimcazole

Rimcazole (PubChem CID 53389) has the molecular formula C21H27N3 and a molecular weight of 321.50 g/mol. Its IUPAC name is 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole.

Molecular Properties

Compound NameRimcazole
PubChem CID53389
Molecular FormulaC21H27N3
Molecular Weight321.50 g/mol
Exact Mass321.22
IUPAC Name9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole
SMILESC[C@@H]1CN(C[C@@H](N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42
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/t16-,17+
InChIKeyGUDVQJXODNJRIJ-CALCHBBNSA-N
XLogP3.90
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity380

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
Carbazole
CID 6854
Pyrvinium
CID 5281035
Gramine
CID 6890
Tetrahydro-beta-carboline
CID 107838
Iprindole
CID 21722
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Latrepirdine
CID 197033
Harman
CID 5281404
N,N-Diethyltryptamine
CID 6090
3-Amino-9-ethylcarbazole
CID 8588

Frequently Asked Questions

What is the IUPAC name of Rimcazole?
The IUPAC name of Rimcazole (CID 53389) is 9-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazole.
What is the SMILES notation for Rimcazole?
The canonical SMILES for Rimcazole is C[C@@H]1CN(C[C@@H](N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42.
What is the InChIKey of Rimcazole?
The InChIKey is GUDVQJXODNJRIJ-CALCHBBNSA-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/t16-,17+.
What are the key properties of Rimcazole?
Rimcazole has a molecular weight of 321.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Rimcazole is sourced from PubChem (CID 53389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).