1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine

C17H28N2O2 — CID 63618670

IUPAC1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine
SMILESCCOC(CN1CCN(c2cccc(C)c2)CC1)OCC
InChIInChI=1S/C17H28N2O2/c1-4-20-17(21-5-2)14-18-9-11-19(12-10-18)16-8-6-7-15(3)13-16/h6-8,13,17H,4-5,9-12,14H2,1-3H3
InChIKeyQSLTUTVPWOJXNI-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.52
Rot. Bonds7

About 1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine

1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine (PubChem CID 63618670) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine
PubChem CID63618670
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine
SMILESCCOC(CN1CCN(c2cccc(C)c2)CC1)OCC
InChIInChI=1S/C17H28N2O2/c1-4-20-17(21-5-2)14-18-9-11-19(12-10-18)16-8-6-7-15(3)13-16/h6-8,13,17H,4-5,9-12,14H2,1-3H3
InChIKeyQSLTUTVPWOJXNI-UHFFFAOYSA-N
XLogP2.52
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 63933549
1-[4-(3-methylphenyl)piperazin-1-yl]pentan-2-ol
CID 62044767
N-ethyl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-2-amine
CID 55135742
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 94183925
1-(4-ethoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 53180192
methyl 2-bromo-3-[4-(3-methylphenyl)piperazin-1-yl]propanoate
CID 81100689
4-methyl-5-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-amine
CID 104681774
(2S)-1-(4-methylphenoxy)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 92856434
(1R)-1-(4-methoxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanol
CID 95104720
1-(3-methylphenyl)piperidine;propane
CID 143942273
2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine
CID 81080109

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine?
The IUPAC name of 1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine (CID 63618670) is 1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine?
The canonical SMILES for 1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine is CCOC(CN1CCN(c2cccc(C)c2)CC1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine?
The InChIKey is QSLTUTVPWOJXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-20-17(21-5-2)14-18-9-11-19(12-10-18)16-8-6-7-15(3)13-16/h6-8,13,17H,4-5,9-12,14H2,1-3H3.
What are the key properties of 1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine?
1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine has a molecular weight of 292.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-4-(3-methylphenyl)piperazine is sourced from PubChem (CID 63618670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).