1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one

C10H18N2O — CID 79658726

IUPAC1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1CN(C)CCN1C
InChIInChI=1S/C10H18N2O/c1-8(2)10(13)9-7-11(3)5-6-12(9)4/h9H,1,5-7H2,2-4H3
InChIKeyVUHNTBVKLRSDIV-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.38
Rot. Bonds2

About 1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one

1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one (PubChem CID 79658726) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one
PubChem CID79658726
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1CN(C)CCN1C
InChIInChI=1S/C10H18N2O/c1-8(2)10(13)9-7-11(3)5-6-12(9)4/h9H,1,5-7H2,2-4H3
InChIKeyVUHNTBVKLRSDIV-UHFFFAOYSA-N
XLogP0.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one (CID 79658726) is 1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one is C=C(C)C(=O)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one?
The InChIKey is VUHNTBVKLRSDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(2)10(13)9-7-11(3)5-6-12(9)4/h9H,1,5-7H2,2-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one?
1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 79658726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).