1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol

C17H28N2O3 — CID 645604

IUPAC1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
SMILESCOCCOCC(O)CN1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C17H28N2O3/c1-15-3-5-16(6-4-15)19-9-7-18(8-10-19)13-17(20)14-22-12-11-21-2/h3-6,17,20H,7-14H2,1-2H3
InChIKeyLVNZMKRPSOCWKE-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.14
Rot. Bonds8

About 1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol

1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 645604) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
PubChem CID645604
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol
SMILESCOCCOCC(O)CN1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C17H28N2O3/c1-15-3-5-16(6-4-15)19-9-7-18(8-10-19)13-17(20)14-22-12-11-21-2/h3-6,17,20H,7-14H2,1-2H3
InChIKeyLVNZMKRPSOCWKE-UHFFFAOYSA-N
XLogP1.14
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol (CID 645604) is 1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol is COCCOCC(O)CN1CCN(c2ccc(C)cc2)CC1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is LVNZMKRPSOCWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-15-3-5-16(6-4-15)19-9-7-18(8-10-19)13-17(20)14-22-12-11-21-2/h3-6,17,20H,7-14H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol?
1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 308.42 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-[4-(4-methylphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 645604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).