6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one

C16H32N2O2 — CID 166112079

IUPAC6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one
SMILESCCOCCCCCC(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-4-20-13-7-5-6-8-16(19)18-11-9-17(10-12-18)14-15(2)3/h15H,4-14H2,1-3H3
InChIKeyIFGWVIYLZIPZJW-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.38
Rot. Bonds9

About 6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one

6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one (PubChem CID 166112079) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one
PubChem CID166112079
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one
SMILESCCOCCCCCC(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-4-20-13-7-5-6-8-16(19)18-11-9-17(10-12-18)14-15(2)3/h15H,4-14H2,1-3H3
InChIKeyIFGWVIYLZIPZJW-UHFFFAOYSA-N
XLogP2.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-one
CID 113072856
4-[2-[2-(6-ethoxyhexoxy)ethoxy]ethoxy]-1-(4-methylpiperazin-1-yl)butan-1-one
CID 170000941
ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 156820072
4-(2-ethoxyphenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one
CID 112765521
4-ethoxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 78881730
4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one
CID 119843365
N-amino-N'-(3-ethoxypropyl)-4-(2-methylpropyl)piperazine-1-carboximidamide
CID 104882583
4-ethoxy-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]butan-1-one
CID 78879909
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]acetic acid
CID 62590443
2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 2756453
1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 155579599
4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one
CID 54872251

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one?
The IUPAC name of 6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one (CID 166112079) is 6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one?
The canonical SMILES for 6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one is CCOCCCCCC(=O)N1CCN(CC(C)C)CC1.
What is the InChIKey of 6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one?
The InChIKey is IFGWVIYLZIPZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-20-13-7-5-6-8-16(19)18-11-9-17(10-12-18)14-15(2)3/h15H,4-14H2,1-3H3.
What are the key properties of 6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one?
6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one has a molecular weight of 284.44 g/mol, XLogP of 2.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1-[4-(2-methylpropyl)piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 166112079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).