1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid

C20H26ClN2O6+ — CID 126956873

IUPAC1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid
SMILESC[N+]1(CC(O)Cn2c3ccccc3c3ccccc32)CCOCC1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C20H25N2O2.ClHO4/c1-22(10-12-24-13-11-22)15-16(23)14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21;2-1(3,4)5/h2-9,16,23H,10-15H2,1H3;(H,2,3,4,5)/q+1;
InChIKeyREJRFDWKTPDCDG-UHFFFAOYSA-N
MW425.89 g/mol
LogP-1.49
Rot. Bonds4

About 1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid

1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid (PubChem CID 126956873) has the molecular formula C20H26ClN2O6+ and a molecular weight of 425.89 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid.

Molecular Properties

Compound Name1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid
PubChem CID126956873
Molecular FormulaC20H26ClN2O6+
Molecular Weight425.89 g/mol
Exact Mass425.15
IUPAC Name1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid
SMILESC[N+]1(CC(O)Cn2c3ccccc3c3ccccc32)CCOCC1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C20H25N2O2.ClHO4/c1-22(10-12-24-13-11-22)15-16(23)14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21;2-1(3,4)5/h2-9,16,23H,10-15H2,1H3;(H,2,3,4,5)/q+1;
InChIKeyREJRFDWKTPDCDG-UHFFFAOYSA-N
XLogP-1.49
TPSA123.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.89
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid with MolForge

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Launch Full Analysis

Related Compounds

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CID 109471037
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
10-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]acridin-9-one
CID 7337905
1-carbazol-9-yl-3-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)propan-2-ol
CID 127037260
1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol
CID 70682192
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
(2R)-3-carbazol-9-yl-2-methylpropan-1-ol
CID 54249395
(2S)-2-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]amino]butan-1-ol
CID 962217

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid?
The IUPAC name of 1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid (CID 126956873) is 1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid.
What is the SMILES notation for 1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid?
The canonical SMILES for 1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid is C[N+]1(CC(O)Cn2c3ccccc3c3ccccc32)CCOCC1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid?
The InChIKey is REJRFDWKTPDCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N2O2.ClHO4/c1-22(10-12-24-13-11-22)15-16(23)14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21;2-1(3,4)5/h2-9,16,23H,10-15H2,1H3;(H,2,3,4,5)/q+1;.
What are the key properties of 1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid?
1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid has a molecular weight of 425.89 g/mol, XLogP of -1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-(4-methylmorpholin-4-ium-4-yl)propan-2-ol;perchloric acid is sourced from PubChem (CID 126956873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).