2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one

C11H23N3O2 — CID 110012464

IUPAC2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one
SMILESCCC(CO)N1CCN(C(=O)C(C)N)CC1
InChIInChI=1S/C11H23N3O2/c1-3-10(8-15)13-4-6-14(7-5-13)11(16)9(2)12/h9-10,15H,3-8,12H2,1-2H3
InChIKeyQOFXSGDRTWWWJQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.75
Rot. Bonds4

About 2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one

2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 110012464) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one
PubChem CID110012464
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one
SMILESCCC(CO)N1CCN(C(=O)C(C)N)CC1
InChIInChI=1S/C11H23N3O2/c1-3-10(8-15)13-4-6-14(7-5-13)11(16)9(2)12/h9-10,15H,3-8,12H2,1-2H3
InChIKeyQOFXSGDRTWWWJQ-UHFFFAOYSA-N
XLogP-0.75
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one (CID 110012464) is 2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one is CCC(CO)N1CCN(C(=O)C(C)N)CC1.
What is the InChIKey of 2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is QOFXSGDRTWWWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-10(8-15)13-4-6-14(7-5-13)11(16)9(2)12/h9-10,15H,3-8,12H2,1-2H3.
What are the key properties of 2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one?
2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 229.32 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110012464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).