1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid

C18H28N2O7 — CID 653254

IUPAC1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid
SMILESCOCCOCC(O)CN1CCN(c2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H26N2O3.C2H2O4/c1-20-11-12-21-14-16(19)13-17-7-9-18(10-8-17)15-5-3-2-4-6-15;3-1(4)2(5)6/h2-6,16,19H,7-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyYTROQBCDUDEOPC-UHFFFAOYSA-N
MW384.43 g/mol
LogP-0.01
Rot. Bonds8

About 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid

1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid (PubChem CID 653254) has the molecular formula C18H28N2O7 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid
PubChem CID653254
Molecular FormulaC18H28N2O7
Molecular Weight384.43 g/mol
Exact Mass384.19
IUPAC Name1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid
SMILESCOCCOCC(O)CN1CCN(c2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H26N2O3.C2H2O4/c1-20-11-12-21-14-16(19)13-17-7-9-18(10-8-17)15-5-3-2-4-6-15;3-1(4)2(5)6/h2-6,16,19H,7-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyYTROQBCDUDEOPC-UHFFFAOYSA-N
XLogP-0.01
TPSA119.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Dropropizine
CID 3169
Levodropropizine
CID 65859
1-(Cyclohexyloxy)-3-(4-phenyl-1-piperazinyl)-2-propanol
CID 2933098
(2R)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol
CID 688451
4-(4-((R)-5-(hydroxymethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one
CID 67306387
2-(3-Ethoxy-propylamino)-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 645221
1-(2-Methoxy-ethoxy)-3-(4-p-tolyl-piperazin-1-yl)-propan-2-ol
CID 645603
3-Hydroxy-6-(hydroxymethyl)-2-[(4-phenylpiperazinyl)methyl]pyran-4-one
CID 720194
3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-N-phenyl-propionamide
CID 24746925
1-Piperazineacetic acid, 4-phenyl-, ethyl ester
CID 3044259
Ethyl 2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetate
CID 7178475
1-(3-Fluorophenyl)-4-methylpiperazine;oxalic acid
CID 44351391

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid?
The IUPAC name of 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid (CID 653254) is 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid is COCCOCC(O)CN1CCN(c2ccccc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid?
The InChIKey is YTROQBCDUDEOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3.C2H2O4/c1-20-11-12-21-14-16(19)13-17-7-9-18(10-8-17)15-5-3-2-4-6-15;3-1(4)2(5)6/h2-6,16,19H,7-14H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid?
1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid has a molecular weight of 384.43 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol;oxalic acid is sourced from PubChem (CID 653254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).