[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium

C18H23N2O+ — CID 910212

IUPAC[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
SMILESC[N+](C)(C)C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H23N2O/c1-20(2,3)13-14(21)12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21H,12-13H2,1-3H3/q+1/t14-/m1/s1
InChIKeyHXFYDPNYWULHAB-CQSZACIVSA-N
MW283.39 g/mol
LogP2.86
Rot. Bonds4

About [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium

[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium (PubChem CID 910212) has the molecular formula C18H23N2O+ and a molecular weight of 283.39 g/mol. Its IUPAC name is [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium.

Molecular Properties

Compound Name[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
PubChem CID910212
Molecular FormulaC18H23N2O+
Molecular Weight283.39 g/mol
Exact Mass283.18
IUPAC Name[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
SMILESC[N+](C)(C)C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H23N2O/c1-20(2,3)13-14(21)12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21H,12-13H2,1-3H3/q+1/t14-/m1/s1
InChIKeyHXFYDPNYWULHAB-CQSZACIVSA-N
XLogP2.86
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697
(2R)-3-carbazol-9-yl-2-methylpropan-1-ol
CID 54249395
1-carbazol-9-yl-3-[1,3-di(carbazol-9-yl)propan-2-yloxy]propan-2-ol
CID 3610728
(2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
CID 6973791
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
(2R)-1-carbazol-9-yl-3-pyridin-1-ium-1-ylpropan-2-ol
CID 798463
1-carbazol-9-yl-3-phenylsulfanylpropan-2-ol
CID 70682192
1-carbazol-9-yl-3-(1-phenylethylamino)propan-2-ol
CID 3635355
(2S)-2-[[(2R)-3-carbazol-9-yl-2-hydroxypropyl]amino]butan-1-ol
CID 962217
3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
CID 154741332

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium?
The IUPAC name of [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium (CID 910212) is [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium.
What is the SMILES notation for [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium?
The canonical SMILES for [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium is C[N+](C)(C)C[C@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium?
The InChIKey is HXFYDPNYWULHAB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N2O/c1-20(2,3)13-14(21)12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21H,12-13H2,1-3H3/q+1/t14-/m1/s1.
What are the key properties of [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium?
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium has a molecular weight of 283.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium is sourced from PubChem (CID 910212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).