2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one

C12H22N2O2 — CID 83709619

IUPAC2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)C1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-10(11-2-8-16-9-3-11)12(15)14-6-4-13-5-7-14/h10-11,13H,2-9H2,1H3
InChIKeyKDCBRWZOTUDWNM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.48
Rot. Bonds2

About 2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one

2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 83709619) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID83709619
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)C1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-10(11-2-8-16-9-3-11)12(15)14-6-4-13-5-7-14/h10-11,13H,2-9H2,1H3
InChIKeyKDCBRWZOTUDWNM-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione
CID 173096762
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 75389640
1-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-2-(oxan-4-yl)propan-1-one
CID 75469794
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one
CID 70596014
1-morpholin-4-yl-2-(3-piperazin-1-ylazetidin-1-yl)propan-1-one
CID 66197711
2-cyclopropyl-2-(dimethylamino)-1-piperazin-1-ylethanone
CID 82508389
1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-2-(oxan-4-yl)propan-1-one
CID 109479363
1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione
CID 103500750
2-(azetidin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 116674207
3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119401435
1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one
CID 79705244

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one (CID 83709619) is 2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCNCC1)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is KDCBRWZOTUDWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(11-2-8-16-9-3-11)12(15)14-6-4-13-5-7-14/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one?
2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 83709619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).