1-(1-methylpiperazin-2-yl)propan-1-one

C8H16N2O — CID 58492296

IUPAC1-(1-methylpiperazin-2-yl)propan-1-one
SMILESCCC(=O)C1CNCCN1C
InChIInChI=1S/C8H16N2O/c1-3-8(11)7-6-9-4-5-10(7)2/h7,9H,3-6H2,1-2H3
InChIKeyCNTQCWFXKQLOBH-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.13
Rot. Bonds2

About 1-(1-methylpiperazin-2-yl)propan-1-one

1-(1-methylpiperazin-2-yl)propan-1-one (PubChem CID 58492296) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(1-methylpiperazin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-methylpiperazin-2-yl)propan-1-one
PubChem CID58492296
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(1-methylpiperazin-2-yl)propan-1-one
SMILESCCC(=O)C1CNCCN1C
InChIInChI=1S/C8H16N2O/c1-3-8(11)7-6-9-4-5-10(7)2/h7,9H,3-6H2,1-2H3
InChIKeyCNTQCWFXKQLOBH-UHFFFAOYSA-N
XLogP-0.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperazin-2-yl)propan-1-one?
The IUPAC name of 1-(1-methylpiperazin-2-yl)propan-1-one (CID 58492296) is 1-(1-methylpiperazin-2-yl)propan-1-one.
What is the SMILES notation for 1-(1-methylpiperazin-2-yl)propan-1-one?
The canonical SMILES for 1-(1-methylpiperazin-2-yl)propan-1-one is CCC(=O)C1CNCCN1C.
What is the InChIKey of 1-(1-methylpiperazin-2-yl)propan-1-one?
The InChIKey is CNTQCWFXKQLOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-8(11)7-6-9-4-5-10(7)2/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-(1-methylpiperazin-2-yl)propan-1-one?
1-(1-methylpiperazin-2-yl)propan-1-one has a molecular weight of 156.23 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperazin-2-yl)propan-1-one is sourced from PubChem (CID 58492296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).