1-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol

C18H30N2O2 — CID 56778758

IUPAC1-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol
SMILESCCOCCN1CCN(CC(O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C18H30N2O2/c1-4-22-12-11-19-7-9-20(10-8-19)14-18(21)17-6-5-15(2)16(3)13-17/h5-6,13,18,21H,4,7-12,14H2,1-3H3
InChIKeyFLCSIDWMGVYOJG-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.99
Rot. Bonds7

About 1-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol

1-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol (PubChem CID 56778758) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol
PubChem CID56778758
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol
SMILESCCOCCN1CCN(CC(O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C18H30N2O2/c1-4-22-12-11-19-7-9-20(10-8-19)14-18(21)17-6-5-15(2)16(3)13-17/h5-6,13,18,21H,4,7-12,14H2,1-3H3
InChIKeyFLCSIDWMGVYOJG-UHFFFAOYSA-N
XLogP1.99
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol (CID 56778758) is 1-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol is CCOCCN1CCN(CC(O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol?
The InChIKey is FLCSIDWMGVYOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-22-12-11-19-7-9-20(10-8-19)14-18(21)17-6-5-15(2)16(3)13-17/h5-6,13,18,21H,4,7-12,14H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol?
1-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol has a molecular weight of 306.45 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[4-(2-ethoxyethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 56778758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).