(2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol

C22H27N2O3+ — CID 6963876

IUPAC(2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESCOc1ccc(-c2cc3ccccc3n2C[C@@H](O)C[NH+]2CCOCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-26-20-8-6-17(7-9-20)22-14-18-4-2-3-5-21(18)24(22)16-19(25)15-23-10-12-27-13-11-23/h2-9,14,19,25H,10-13,15-16H2,1H3/p+1/t19-/m0/s1
InChIKeyNBHGGYKNHYVBPJ-IBGZPJMESA-O
MW367.47 g/mol
LogP1.59
Rot. Bonds6

About (2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol

(2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol (PubChem CID 6963876) has the molecular formula C22H27N2O3+ and a molecular weight of 367.47 g/mol. Its IUPAC name is (2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol
PubChem CID6963876
Molecular FormulaC22H27N2O3+
Molecular Weight367.47 g/mol
Exact Mass367.20
IUPAC Name(2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol
SMILESCOc1ccc(-c2cc3ccccc3n2C[C@@H](O)C[NH+]2CCOCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-26-20-8-6-17(7-9-20)22-14-18-4-2-3-5-21(18)24(22)16-19(25)15-23-10-12-27-13-11-23/h2-9,14,19,25H,10-13,15-16H2,1H3/p+1/t19-/m0/s1
InChIKeyNBHGGYKNHYVBPJ-IBGZPJMESA-O
XLogP1.59
TPSA48.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol (CID 6963876) is (2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol is COc1ccc(-c2cc3ccccc3n2C[C@@H](O)C[NH+]2CCOCC2)cc1.
What is the InChIKey of (2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol?
The InChIKey is NBHGGYKNHYVBPJ-IBGZPJMESA-O. The full InChI is InChI=1S/C22H26N2O3/c1-26-20-8-6-17(7-9-20)22-14-18-4-2-3-5-21(18)24(22)16-19(25)15-23-10-12-27-13-11-23/h2-9,14,19,25H,10-13,15-16H2,1H3/p+1/t19-/m0/s1.
What are the key properties of (2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol?
(2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol has a molecular weight of 367.47 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-methoxyphenyl)indol-1-yl]-3-morpholin-4-ium-4-ylpropan-2-ol is sourced from PubChem (CID 6963876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).