2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone

C13H25N3O — CID 3229438

IUPAC2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C)CC1
InChIInChI=1S/C13H25N3O/c1-12-5-3-4-6-16(12)13(17)11-15-9-7-14(2)8-10-15/h12H,3-11H2,1-2H3
InChIKeyYVYKZJJALXBMFR-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.63
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone

2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 3229438) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID3229438
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C)CC1
InChIInChI=1S/C13H25N3O/c1-12-5-3-4-6-16(12)13(17)11-15-9-7-14(2)8-10-15/h12H,3-11H2,1-2H3
InChIKeyYVYKZJJALXBMFR-UHFFFAOYSA-N
XLogP0.63
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone (CID 3229438) is 2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CN1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is YVYKZJJALXBMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-12-5-3-4-6-16(12)13(17)11-15-9-7-14(2)8-10-15/h12H,3-11H2,1-2H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone?
2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3229438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).