2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one

C13H25N3O — CID 70597480

IUPAC2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one
SMILESCCC(C(=O)C1CCNCC1)N1CCNCC1
InChIInChI=1S/C13H25N3O/c1-2-12(16-9-7-15-8-10-16)13(17)11-3-5-14-6-4-11/h11-12,14-15H,2-10H2,1H3
InChIKeyBHQWNHHMCRZSTO-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.24
Rot. Bonds4

About 2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one

2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one (PubChem CID 70597480) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one
PubChem CID70597480
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one
SMILESCCC(C(=O)C1CCNCC1)N1CCNCC1
InChIInChI=1S/C13H25N3O/c1-2-12(16-9-7-15-8-10-16)13(17)11-3-5-14-6-4-11/h11-12,14-15H,2-10H2,1H3
InChIKeyBHQWNHHMCRZSTO-UHFFFAOYSA-N
XLogP0.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one?
The IUPAC name of 2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one (CID 70597480) is 2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one.
What is the SMILES notation for 2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one?
The canonical SMILES for 2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one is CCC(C(=O)C1CCNCC1)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one?
The InChIKey is BHQWNHHMCRZSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-12(16-9-7-15-8-10-16)13(17)11-3-5-14-6-4-11/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one?
2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1-piperidin-4-ylbutan-1-one is sourced from PubChem (CID 70597480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).