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

C16H26N2O3 — CID 653255

IUPAC1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESCOCCOCC(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H26N2O3/c1-20-11-12-21-14-16(19)13-17-7-9-18(10-8-17)15-5-3-2-4-6-15/h2-6,16,19H,7-14H2,1H3
InChIKeySOZFPFXJULOGEF-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.83
Rot. Bonds8

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

1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol (PubChem CID 653255) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
PubChem CID653255
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
SMILESCOCCOCC(O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H26N2O3/c1-20-11-12-21-14-16(19)13-17-7-9-18(10-8-17)15-5-3-2-4-6-15/h2-6,16,19H,7-14H2,1H3
InChIKeySOZFPFXJULOGEF-UHFFFAOYSA-N
XLogP0.83
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-phenylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol (CID 653255) is 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol is COCCOCC(O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
The InChIKey is SOZFPFXJULOGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-20-11-12-21-14-16(19)13-17-7-9-18(10-8-17)15-5-3-2-4-6-15/h2-6,16,19H,7-14H2,1H3.
What are the key properties of 1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol?
1-(2-methoxyethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol has a molecular weight of 294.40 g/mol, XLogP of 0.83, 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-phenylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 653255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).