1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one

C11H23N3O — CID 20687041

IUPAC1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(CCN(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-11(15)10-14-8-6-13(7-9-14)5-4-12(2)3/h4-10H2,1-3H3
InChIKeyNUJZCKCWSWULNF-UHFFFAOYSA-N
MW213.32 g/mol
LogP-0.25
Rot. Bonds5

About 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one

1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one (PubChem CID 20687041) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one
PubChem CID20687041
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(CCN(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-11(15)10-14-8-6-13(7-9-14)5-4-12(2)3/h4-10H2,1-3H3
InChIKeyNUJZCKCWSWULNF-UHFFFAOYSA-N
XLogP-0.25
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one (CID 20687041) is 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one is CC(=O)CN1CCN(CCN(C)C)CC1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one?
The InChIKey is NUJZCKCWSWULNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(15)10-14-8-6-13(7-9-14)5-4-12(2)3/h4-10H2,1-3H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one?
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one has a molecular weight of 213.32 g/mol, XLogP of -0.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]propan-2-one is sourced from PubChem (CID 20687041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).