2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone

C11H23N3O2 — CID 69203602

IUPAC2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCN(CCCO)CC1
InChIInChI=1S/C11H23N3O2/c1-12(2)10-11(16)14-7-5-13(6-8-14)4-3-9-15/h15H,3-10H2,1-2H3
InChIKeyFTSKXORNDLAXPV-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.93
Rot. Bonds5

About 2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone

2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone (PubChem CID 69203602) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone
PubChem CID69203602
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone
SMILESCN(C)CC(=O)N1CCN(CCCO)CC1
InChIInChI=1S/C11H23N3O2/c1-12(2)10-11(16)14-7-5-13(6-8-14)4-3-9-15/h15H,3-10H2,1-2H3
InChIKeyFTSKXORNDLAXPV-UHFFFAOYSA-N
XLogP-0.93
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone (CID 69203602) is 2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone is CN(C)CC(=O)N1CCN(CCCO)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone?
The InChIKey is FTSKXORNDLAXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-12(2)10-11(16)14-7-5-13(6-8-14)4-3-9-15/h15H,3-10H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone?
2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone has a molecular weight of 229.32 g/mol, XLogP of -0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-(3-hydroxypropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 69203602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).