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

C12H25N3O — CID 70875139

IUPAC1-[4-[2-(propan-2-ylamino)ethyl]piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(CCNC(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-11(2)13-4-5-14-6-8-15(9-7-14)10-12(3)16/h11,13H,4-10H2,1-3H3
InChIKeyKCEKFJDEXIYYGJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.19
Rot. Bonds6

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

1-[4-[2-(propan-2-ylamino)ethyl]piperazin-1-yl]propan-2-one (PubChem CID 70875139) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[4-[2-(propan-2-ylamino)ethyl]piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-(propan-2-ylamino)ethyl]piperazin-1-yl]propan-2-one
PubChem CID70875139
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-[4-[2-(propan-2-ylamino)ethyl]piperazin-1-yl]propan-2-one
SMILESCC(=O)CN1CCN(CCNC(C)C)CC1
InChIInChI=1S/C12H25N3O/c1-11(2)13-4-5-14-6-8-15(9-7-14)10-12(3)16/h11,13H,4-10H2,1-3H3
InChIKeyKCEKFJDEXIYYGJ-UHFFFAOYSA-N
XLogP0.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(propan-2-ylamino)ethyl]piperazin-1-yl]propan-2-one?
The IUPAC name of 1-[4-[2-(propan-2-ylamino)ethyl]piperazin-1-yl]propan-2-one (CID 70875139) is 1-[4-[2-(propan-2-ylamino)ethyl]piperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[2-(propan-2-ylamino)ethyl]piperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[2-(propan-2-ylamino)ethyl]piperazin-1-yl]propan-2-one is CC(=O)CN1CCN(CCNC(C)C)CC1.
What is the InChIKey of 1-[4-[2-(propan-2-ylamino)ethyl]piperazin-1-yl]propan-2-one?
The InChIKey is KCEKFJDEXIYYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(2)13-4-5-14-6-8-15(9-7-14)10-12(3)16/h11,13H,4-10H2,1-3H3.
What are the key properties of 1-[4-[2-(propan-2-ylamino)ethyl]piperazin-1-yl]propan-2-one?
1-[4-[2-(propan-2-ylamino)ethyl]piperazin-1-yl]propan-2-one has a molecular weight of 227.35 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(propan-2-ylamino)ethyl]piperazin-1-yl]propan-2-one is sourced from PubChem (CID 70875139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).