1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine

C18H30N2O — CID 64952074

IUPAC1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine
SMILESCCOc1ccc(N2CC(C(C)C)NCC2C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-6-21-16-9-7-15(8-10-16)20-12-17(13(2)3)19-11-18(20)14(4)5/h7-10,13-14,17-19H,6,11-12H2,1-5H3
InChIKeyLNFVAHMIJQXBRE-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.54
Rot. Bonds5

About 1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine

1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine (PubChem CID 64952074) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine
PubChem CID64952074
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine
SMILESCCOc1ccc(N2CC(C(C)C)NCC2C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-6-21-16-9-7-15(8-10-16)20-12-17(13(2)3)19-11-18(20)14(4)5/h7-10,13-14,17-19H,6,11-12H2,1-5H3
InChIKeyLNFVAHMIJQXBRE-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 64930366
1-(4-ethoxyphenyl)-2,5-dimethylpiperazine
CID 64951879
2,5-di(propan-2-yl)-1-pyridin-3-ylpiperazine
CID 64952663
1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine
CID 64938447
5-ethyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930277
1-(4-tert-butylphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64932942
5-butan-2-yl-1-(3-chloro-4-methylphenyl)-2-propan-2-ylpiperazine
CID 64939227
1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64930058
1-(4-tert-butylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64952670
1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954676
5-butan-2-yl-2-propan-2-yl-1-pyridin-3-ylpiperazine
CID 64952069
1-(3-ethyl-1-methylpyrazol-4-yl)-2,5-di(propan-2-yl)piperazine
CID 107464957

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine?
The IUPAC name of 1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine (CID 64952074) is 1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine?
The canonical SMILES for 1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine is CCOc1ccc(N2CC(C(C)C)NCC2C(C)C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine?
The InChIKey is LNFVAHMIJQXBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-21-16-9-7-15(8-10-16)20-12-17(13(2)3)19-11-18(20)14(4)5/h7-10,13-14,17-19H,6,11-12H2,1-5H3.
What are the key properties of 1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine?
1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine has a molecular weight of 290.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine is sourced from PubChem (CID 64952074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).