(5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

C13H25N3O2 — CID 55176687

IUPAC(5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CNC(C(=O)N2CC(C)OC(C)(C)C2)CN1
InChIInChI=1S/C13H25N3O2/c1-9-5-15-11(6-14-9)12(17)16-7-10(2)18-13(3,4)8-16/h9-11,14-15H,5-8H2,1-4H3
InChIKeyAQPXZLNBSDWPCF-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.04
Rot. Bonds1

About (5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

(5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 55176687) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID55176687
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CNC(C(=O)N2CC(C)OC(C)(C)C2)CN1
InChIInChI=1S/C13H25N3O2/c1-9-5-15-11(6-14-9)12(17)16-7-10(2)18-13(3,4)8-16/h9-11,14-15H,5-8H2,1-4H3
InChIKeyAQPXZLNBSDWPCF-UHFFFAOYSA-N
XLogP-0.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 55176687) is (5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone is CC1CNC(C(=O)N2CC(C)OC(C)(C)C2)CN1.
What is the InChIKey of (5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is AQPXZLNBSDWPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9-5-15-11(6-14-9)12(17)16-7-10(2)18-13(3,4)8-16/h9-11,14-15H,5-8H2,1-4H3.
What are the key properties of (5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
(5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 255.36 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 55176687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).