2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone

C12H24N4O — CID 57188850

IUPAC2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone
SMILESCN1CCN(C(=O)C(N)C2CCNCC2)CC1
InChIInChI=1S/C12H24N4O/c1-15-6-8-16(9-7-15)12(17)11(13)10-2-4-14-5-3-10/h10-11,14H,2-9,13H2,1H3
InChIKeyKQEPVHREUFGXNJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.91
Rot. Bonds2

About 2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone

2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone (PubChem CID 57188850) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone
PubChem CID57188850
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone
SMILESCN1CCN(C(=O)C(N)C2CCNCC2)CC1
InChIInChI=1S/C12H24N4O/c1-15-6-8-16(9-7-15)12(17)11(13)10-2-4-14-5-3-10/h10-11,14H,2-9,13H2,1H3
InChIKeyKQEPVHREUFGXNJ-UHFFFAOYSA-N
XLogP-0.91
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone?
The IUPAC name of 2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone (CID 57188850) is 2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone?
The canonical SMILES for 2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone is CN1CCN(C(=O)C(N)C2CCNCC2)CC1.
What is the InChIKey of 2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone?
The InChIKey is KQEPVHREUFGXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-15-6-8-16(9-7-15)12(17)11(13)10-2-4-14-5-3-10/h10-11,14H,2-9,13H2,1H3.
What are the key properties of 2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone?
2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone has a molecular weight of 240.35 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylpiperazin-1-yl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 57188850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).