1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one

C18H28N2O2 — CID 82264084

IUPAC1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)N2CCNCC2)cc1C(C)C
InChIInChI=1S/C18H28N2O2/c1-5-22-17-7-6-15(12-16(17)13(2)3)18(21)14(4)20-10-8-19-9-11-20/h6-7,12-14,19H,5,8-11H2,1-4H3
InChIKeyLBDRXKHNFHCUEQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.69
Rot. Bonds6

About 1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one

1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one (PubChem CID 82264084) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
PubChem CID82264084
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCCOc1ccc(C(=O)C(C)N2CCNCC2)cc1C(C)C
InChIInChI=1S/C18H28N2O2/c1-5-22-17-7-6-15(12-16(17)13(2)3)18(21)14(4)20-10-8-19-9-11-20/h6-7,12-14,19H,5,8-11H2,1-4H3
InChIKeyLBDRXKHNFHCUEQ-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82265840
1-(3,4-diethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-one
CID 6430840
1-(4-ethoxy-2,3-dimethylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82266426
1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one
CID 116924119
2-piperazin-1-yl-1-(3-propan-2-yl-4-propoxyphenyl)ethanone
CID 82264037
1-(3-bromophenyl)-2-piperazin-1-ylpropan-1-one
CID 83559257
1-(4-bromo-3-methylphenyl)-2-piperazin-1-ylpropan-1-one
CID 82264459
methyl 4-ethoxy-3-propan-2-ylbenzoate
CID 82554090
1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82263354
(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400534
1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one
CID 82263325
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one (CID 82264084) is 1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one is CCOc1ccc(C(=O)C(C)N2CCNCC2)cc1C(C)C.
What is the InChIKey of 1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is LBDRXKHNFHCUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-22-17-7-6-15(12-16(17)13(2)3)18(21)14(4)20-10-8-19-9-11-20/h6-7,12-14,19H,5,8-11H2,1-4H3.
What are the key properties of 1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one?
1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-propan-2-ylphenyl)-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82264084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).