(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone

C10H18N2O2 — CID 4285118

IUPAC(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone
SMILESCN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,2-8H2,1H3
InChIKeyZSHARPJAQXGCMB-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.06
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone

(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone (PubChem CID 4285118) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone
PubChem CID4285118
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone
SMILESCN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,2-8H2,1H3
InChIKeyZSHARPJAQXGCMB-UHFFFAOYSA-N
XLogP-0.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone (CID 4285118) is (4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone is CN1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone?
The InChIKey is ZSHARPJAQXGCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,2-8H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone?
(4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone has a molecular weight of 198.27 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 4285118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).