1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone

C13H25N3O — CID 126759787

IUPAC1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CN2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-12(17)16-5-3-13(4-6-16)11-15-9-7-14(2)8-10-15/h13H,3-11H2,1-2H3
InChIKeyOZDRAYMRRUPMBF-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.49
Rot. Bonds2

About 1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone

1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 126759787) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID126759787
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CN2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-12(17)16-5-3-13(4-6-16)11-15-9-7-14(2)8-10-15/h13H,3-11H2,1-2H3
InChIKeyOZDRAYMRRUPMBF-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone (CID 126759787) is 1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CN2CCN(C)CC2)CC1.
What is the InChIKey of 1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is OZDRAYMRRUPMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-12(17)16-5-3-13(4-6-16)11-15-9-7-14(2)8-10-15/h13H,3-11H2,1-2H3.
What are the key properties of 1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone?
1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 239.36 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 126759787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).