1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine

C17H28N2O2 — CID 64920411

IUPAC1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine
SMILESCCOc1ccc(N2CCNC(C(C)C)C2)cc1OCC
InChIInChI=1S/C17H28N2O2/c1-5-20-16-8-7-14(11-17(16)21-6-2)19-10-9-18-15(12-19)13(3)4/h7-8,11,13,15,18H,5-6,9-10,12H2,1-4H3
InChIKeyGJKYXKBINXAFIB-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.92
Rot. Bonds6

About 1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine

1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine (PubChem CID 64920411) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine
PubChem CID64920411
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine
SMILESCCOc1ccc(N2CCNC(C(C)C)C2)cc1OCC
InChIInChI=1S/C17H28N2O2/c1-5-20-16-8-7-14(11-17(16)21-6-2)19-10-9-18-15(12-19)13(3)4/h7-8,11,13,15,18H,5-6,9-10,12H2,1-4H3
InChIKeyGJKYXKBINXAFIB-UHFFFAOYSA-N
XLogP2.92
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine (CID 64920411) is 1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine is CCOc1ccc(N2CCNC(C(C)C)C2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine?
The InChIKey is GJKYXKBINXAFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-20-16-8-7-14(11-17(16)21-6-2)19-10-9-18-15(12-19)13(3)4/h7-8,11,13,15,18H,5-6,9-10,12H2,1-4H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine?
1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine has a molecular weight of 292.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine is sourced from PubChem (CID 64920411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).