(2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol

C22H23N2O+ — CID 41187377

IUPAC(2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol
SMILESCc1cc[n+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1
InChIInChI=1S/C22H23N2O/c1-16-11-12-23(17(2)13-16)14-18(25)15-24-21-9-5-3-7-19(21)20-8-4-6-10-22(20)24/h3-13,18,25H,14-15H2,1-2H3/q+1/t18-/m1/s1
InChIKeyRGKBIDHJXGFYKQ-GOSISDBHSA-N
MW331.44 g/mol
LogP3.76
Rot. Bonds4

About (2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol

(2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol (PubChem CID 41187377) has the molecular formula C22H23N2O+ and a molecular weight of 331.44 g/mol. Its IUPAC name is (2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol
PubChem CID41187377
Molecular FormulaC22H23N2O+
Molecular Weight331.44 g/mol
Exact Mass331.18
IUPAC Name(2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol
SMILESCc1cc[n+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1
InChIInChI=1S/C22H23N2O/c1-16-11-12-23(17(2)13-16)14-18(25)15-24-21-9-5-3-7-19(21)20-8-4-6-10-22(20)24/h3-13,18,25H,14-15H2,1-2H3/q+1/t18-/m1/s1
InChIKeyRGKBIDHJXGFYKQ-GOSISDBHSA-N
XLogP3.76
TPSA29.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol
CID 41187376
(2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol
CID 798463
1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol
CID 3342595
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]quinolin-1-ium-8-ol
CID 1153636
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol
CID 7721479
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414
1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
CID 2884521
[(2R)-1-[[(2S)-3-carbazol-9-yl-2-hydroxypropyl]amino]propan-2-yl]carbamic acid
CID 118415459
9-(2,2-difluoroethyl)carbazole
CID 162535518
1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol
CID 3610728

Frequently Asked Questions

What is the IUPAC name of (2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol (CID 41187377) is (2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol is Cc1cc[n+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)c(C)c1.
What is the InChIKey of (2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol?
The InChIKey is RGKBIDHJXGFYKQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N2O/c1-16-11-12-23(17(2)13-16)14-18(25)15-24-21-9-5-3-7-19(21)20-8-4-6-10-22(20)24/h3-13,18,25H,14-15H2,1-2H3/q+1/t18-/m1/s1.
What are the key properties of (2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol?
(2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol has a molecular weight of 331.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-carbazol-9-yl-3-(2,4-dimethylpyridin-1-ium-1-yl)propan-2-ol is sourced from PubChem (CID 41187377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).