[2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride

C17H25ClN2O4 — CID 110175328

IUPAC[2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride
SMILESCOc1ccccc1CC(C)[NH2+]CC(O)C1CC(=O)NC(=O)C1.[Cl-]
InChIInChI=1S/C17H24N2O4.ClH/c1-11(7-12-5-3-4-6-15(12)23-2)18-10-14(20)13-8-16(21)19-17(22)9-13;/h3-6,11,13-14,18,20H,7-10H2,1-2H3,(H,19,21,22);1H
InChIKeyIINVPTFPSDTNLU-UHFFFAOYSA-N
MW356.85 g/mol
LogP-3.39
Rot. Bonds7

About [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride

[2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride (PubChem CID 110175328) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride
PubChem CID110175328
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Name[2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride
SMILESCOc1ccccc1CC(C)[NH2+]CC(O)C1CC(=O)NC(=O)C1.[Cl-]
InChIInChI=1S/C17H24N2O4.ClH/c1-11(7-12-5-3-4-6-15(12)23-2)18-10-14(20)13-8-16(21)19-17(22)9-13;/h3-6,11,13-14,18,20H,7-10H2,1-2H3,(H,19,21,22);1H
InChIKeyIINVPTFPSDTNLU-UHFFFAOYSA-N
XLogP-3.39
TPSA92.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 5-3.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride?
The IUPAC name of [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride (CID 110175328) is [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride.
What is the SMILES notation for [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride?
The canonical SMILES for [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride is COc1ccccc1CC(C)[NH2+]CC(O)C1CC(=O)NC(=O)C1.[Cl-].
What is the InChIKey of [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride?
The InChIKey is IINVPTFPSDTNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c1-11(7-12-5-3-4-6-15(12)23-2)18-10-14(20)13-8-16(21)19-17(22)9-13;/h3-6,11,13-14,18,20H,7-10H2,1-2H3,(H,19,21,22);1H.
What are the key properties of [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride?
[2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride has a molecular weight of 356.85 g/mol, XLogP of -3.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride is sourced from PubChem (CID 110175328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).