1-(4-propylpiperazin-1-yl)ethanone

C9H18N2O — CID 20825660

IUPAC1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C9H18N2O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h3-8H2,1-2H3
InChIKeyKOOLYPVFWPPNBC-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.56
Rot. Bonds2

About 1-(4-propylpiperazin-1-yl)ethanone

1-(4-propylpiperazin-1-yl)ethanone (PubChem CID 20825660) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(4-propylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-propylpiperazin-1-yl)ethanone
PubChem CID20825660
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(C)=O)CC1
InChIInChI=1S/C9H18N2O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h3-8H2,1-2H3
InChIKeyKOOLYPVFWPPNBC-UHFFFAOYSA-N
XLogP0.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-propylpiperazin-1-yl)ethanone (CID 20825660) is 1-(4-propylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-propylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-propylpiperazin-1-yl)ethanone is CCCN1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-propylpiperazin-1-yl)ethanone?
The InChIKey is KOOLYPVFWPPNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-10-5-7-11(8-6-10)9(2)12/h3-8H2,1-2H3.
What are the key properties of 1-(4-propylpiperazin-1-yl)ethanone?
1-(4-propylpiperazin-1-yl)ethanone has a molecular weight of 170.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpiperazin-1-yl)ethanone is sourced from PubChem (CID 20825660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).