1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one

C10H20N2O — CID 126991943

IUPAC1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(C)C(=O)C1C
InChIInChI=1S/C10H20N2O/c1-8(2)7-12-6-5-11(4)10(13)9(12)3/h8-9H,5-7H2,1-4H3
InChIKeyRCOWDZRKVMQSHF-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.80
Rot. Bonds2

About 1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one

1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one (PubChem CID 126991943) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one
PubChem CID126991943
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(C)C(=O)C1C
InChIInChI=1S/C10H20N2O/c1-8(2)7-12-6-5-11(4)10(13)9(12)3/h8-9H,5-7H2,1-4H3
InChIKeyRCOWDZRKVMQSHF-UHFFFAOYSA-N
XLogP0.80
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one (CID 126991943) is 1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one is CC(C)CN1CCN(C)C(=O)C1C.
What is the InChIKey of 1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one?
The InChIKey is RCOWDZRKVMQSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)7-12-6-5-11(4)10(13)9(12)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one?
1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 126991943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).