1-(4-methylpiperazin-1-yl)propan-2-one

C8H16N2O — CID 10534927

IUPAC1-(4-methylpiperazin-1-yl)propan-2-one
SMILESCC(=O)CN1CCN(C)CC1
InChIInChI=1S/C8H16N2O/c1-8(11)7-10-5-3-9(2)4-6-10/h3-7H2,1-2H3
InChIKeyRJFFVAGYPXHKIN-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.18
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)propan-2-one

1-(4-methylpiperazin-1-yl)propan-2-one (PubChem CID 10534927) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)propan-2-one
PubChem CID10534927
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(4-methylpiperazin-1-yl)propan-2-one
SMILESCC(=O)CN1CCN(C)CC1
InChIInChI=1S/C8H16N2O/c1-8(11)7-10-5-3-9(2)4-6-10/h3-7H2,1-2H3
InChIKeyRJFFVAGYPXHKIN-UHFFFAOYSA-N
XLogP-0.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)propan-2-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)propan-2-one (CID 10534927) is 1-(4-methylpiperazin-1-yl)propan-2-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)propan-2-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)propan-2-one is CC(=O)CN1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)propan-2-one?
The InChIKey is RJFFVAGYPXHKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(11)7-10-5-3-9(2)4-6-10/h3-7H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)propan-2-one?
1-(4-methylpiperazin-1-yl)propan-2-one has a molecular weight of 156.23 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)propan-2-one is sourced from PubChem (CID 10534927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).