1,6-dimethyl-4-propylpiperazin-2-one

C9H18N2O — CID 59261527

IUPAC1,6-dimethyl-4-propylpiperazin-2-one
SMILESCCCN1CC(=O)N(C)C(C)C1
InChIInChI=1S/C9H18N2O/c1-4-5-11-6-8(2)10(3)9(12)7-11/h8H,4-7H2,1-3H3
InChIKeyKSBYAPUCZGNDSX-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.56
Rot. Bonds2

About 1,6-dimethyl-4-propylpiperazin-2-one

1,6-dimethyl-4-propylpiperazin-2-one (PubChem CID 59261527) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1,6-dimethyl-4-propylpiperazin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-propylpiperazin-2-one
PubChem CID59261527
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1,6-dimethyl-4-propylpiperazin-2-one
SMILESCCCN1CC(=O)N(C)C(C)C1
InChIInChI=1S/C9H18N2O/c1-4-5-11-6-8(2)10(3)9(12)7-11/h8H,4-7H2,1-3H3
InChIKeyKSBYAPUCZGNDSX-UHFFFAOYSA-N
XLogP0.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-propylpiperazin-2-one?
The IUPAC name of 1,6-dimethyl-4-propylpiperazin-2-one (CID 59261527) is 1,6-dimethyl-4-propylpiperazin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-propylpiperazin-2-one?
The canonical SMILES for 1,6-dimethyl-4-propylpiperazin-2-one is CCCN1CC(=O)N(C)C(C)C1.
What is the InChIKey of 1,6-dimethyl-4-propylpiperazin-2-one?
The InChIKey is KSBYAPUCZGNDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-11-6-8(2)10(3)9(12)7-11/h8H,4-7H2,1-3H3.
What are the key properties of 1,6-dimethyl-4-propylpiperazin-2-one?
1,6-dimethyl-4-propylpiperazin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-propylpiperazin-2-one is sourced from PubChem (CID 59261527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).