2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C12H24N2O2 — CID 86990301

IUPAC2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCCOC(C)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-5-16-11(4)12(15)14-8-6-13(7-9-14)10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyYXINEBHRDQCWOF-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.96
Rot. Bonds4

About 2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 86990301) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID86990301
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCCOC(C)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-5-16-11(4)12(15)14-8-6-13(7-9-14)10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyYXINEBHRDQCWOF-UHFFFAOYSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647696
2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 176724089
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one
CID 119624807
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethoxypropan-1-one
CID 55686891
2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 134435805
3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 106111361
1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256934
2-bromo-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 43585221
1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one
CID 166996653
2-ethoxy-1-(3-ethoxypiperidin-1-yl)propan-1-one
CID 86843747
methyl 4-propan-2-ylpiperazine-1-carboxylate
CID 59264587
2-[2-(ethylamino)ethoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 62338415

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 86990301) is 2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CCOC(C)C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is YXINEBHRDQCWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-16-11(4)12(15)14-8-6-13(7-9-14)10(2)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 86990301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).