1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one

C17H26N2O2 — CID 120739982

IUPAC1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
SMILESCCc1ccc(C2CNCCN2C(=O)C(C)COC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-14-5-7-15(8-6-14)16-11-18-9-10-19(16)17(20)13(2)12-21-3/h5-8,13,16,18H,4,9-12H2,1-3H3
InChIKeyDIKMQKIQOSYFLO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.00
Rot. Bonds5

About 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one

1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one (PubChem CID 120739982) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
PubChem CID120739982
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
SMILESCCc1ccc(C2CNCCN2C(=O)C(C)COC)cc1
InChIInChI=1S/C17H26N2O2/c1-4-14-5-7-15(8-6-14)16-11-18-9-10-19(16)17(20)13(2)12-21-3/h5-8,13,16,18H,4,9-12H2,1-3H3
InChIKeyDIKMQKIQOSYFLO-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 120741375
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120740942
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone
CID 120741617
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea
CID 120741607
N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 120740327
1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 120741677
2-(cyclopropylmethoxy)-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120741616
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one (CID 120739982) is 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one is CCc1ccc(C2CNCCN2C(=O)C(C)COC)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one?
The InChIKey is DIKMQKIQOSYFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-14-5-7-15(8-6-14)16-11-18-9-10-19(16)17(20)13(2)12-21-3/h5-8,13,16,18H,4,9-12H2,1-3H3.
What are the key properties of 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one?
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 120739982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).