5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one

C10H18N2O2 — CID 5230385

IUPAC5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one
SMILESCN1CCN(CC2CCC(=O)O2)CC1
InChIInChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)8-9-2-3-10(13)14-9/h9H,2-8H2,1H3
InChIKeyIKYAGEQVNCIRJV-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.06
Rot. Bonds2

About 5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one

5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one (PubChem CID 5230385) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one
PubChem CID5230385
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one
SMILESCN1CCN(CC2CCC(=O)O2)CC1
InChIInChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)8-9-2-3-10(13)14-9/h9H,2-8H2,1H3
InChIKeyIKYAGEQVNCIRJV-UHFFFAOYSA-N
XLogP-0.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one (CID 5230385) is 5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one is CN1CCN(CC2CCC(=O)O2)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one?
The InChIKey is IKYAGEQVNCIRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)8-9-2-3-10(13)14-9/h9H,2-8H2,1H3.
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one?
5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one has a molecular weight of 198.27 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]oxolan-2-one is sourced from PubChem (CID 5230385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).