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

C12H23N3O — CID 70595709

IUPAC2-piperazin-1-yl-1-piperidin-4-ylpropan-1-one
SMILESCC(C(=O)C1CCNCC1)N1CCNCC1
InChIInChI=1S/C12H23N3O/c1-10(15-8-6-14-7-9-15)12(16)11-2-4-13-5-3-11/h10-11,13-14H,2-9H2,1H3
InChIKeyHVSNWBPAUNIGQE-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.15
Rot. Bonds3

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

2-piperazin-1-yl-1-piperidin-4-ylpropan-1-one (PubChem CID 70595709) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-piperazin-1-yl-1-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-piperazin-1-yl-1-piperidin-4-ylpropan-1-one
PubChem CID70595709
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-piperazin-1-yl-1-piperidin-4-ylpropan-1-one
SMILESCC(C(=O)C1CCNCC1)N1CCNCC1
InChIInChI=1S/C12H23N3O/c1-10(15-8-6-14-7-9-15)12(16)11-2-4-13-5-3-11/h10-11,13-14H,2-9H2,1H3
InChIKeyHVSNWBPAUNIGQE-UHFFFAOYSA-N
XLogP-0.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.15
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-ylpropan-1-one?
The IUPAC name of 2-piperazin-1-yl-1-piperidin-4-ylpropan-1-one (CID 70595709) is 2-piperazin-1-yl-1-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 2-piperazin-1-yl-1-piperidin-4-ylpropan-1-one?
The canonical SMILES for 2-piperazin-1-yl-1-piperidin-4-ylpropan-1-one is CC(C(=O)C1CCNCC1)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-1-piperidin-4-ylpropan-1-one?
The InChIKey is HVSNWBPAUNIGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(15-8-6-14-7-9-15)12(16)11-2-4-13-5-3-11/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 2-piperazin-1-yl-1-piperidin-4-ylpropan-1-one?
2-piperazin-1-yl-1-piperidin-4-ylpropan-1-one has a molecular weight of 225.34 g/mol, XLogP of -0.15, 3 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-ylpropan-1-one is sourced from PubChem (CID 70595709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).