2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone

C11H22N3O+ — CID 91826681

IUPAC2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone
SMILESO=C(CN1CC[NH2+]CC1)N1CCCCC1
InChIInChI=1S/C11H21N3O/c15-11(14-6-2-1-3-7-14)10-13-8-4-12-5-9-13/h12H,1-10H2/p+1
InChIKeyPCHXUJGLAFXWIW-UHFFFAOYSA-O
MW212.32 g/mol
LogP-1.12
Rot. Bonds2

About 2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone

2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone (PubChem CID 91826681) has the molecular formula C11H22N3O+ and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone
PubChem CID91826681
Molecular FormulaC11H22N3O+
Molecular Weight212.32 g/mol
Exact Mass212.18
IUPAC Name2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone
SMILESO=C(CN1CC[NH2+]CC1)N1CCCCC1
InChIInChI=1S/C11H21N3O/c15-11(14-6-2-1-3-7-14)10-13-8-4-12-5-9-13/h12H,1-10H2/p+1
InChIKeyPCHXUJGLAFXWIW-UHFFFAOYSA-O
XLogP-1.12
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone?
The IUPAC name of 2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone (CID 91826681) is 2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone is O=C(CN1CC[NH2+]CC1)N1CCCCC1.
What is the InChIKey of 2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone?
The InChIKey is PCHXUJGLAFXWIW-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H21N3O/c15-11(14-6-2-1-3-7-14)10-13-8-4-12-5-9-13/h12H,1-10H2/p+1.
What are the key properties of 2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone?
2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone has a molecular weight of 212.32 g/mol, XLogP of -1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-4-ium-1-yl-1-piperidin-1-ylethanone is sourced from PubChem (CID 91826681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).