3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C10H21N3O — CID 2756459

IUPAC3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)CCN)CC1
InChIInChI=1S/C10H21N3O/c1-9(2)12-5-7-13(8-6-12)10(14)3-4-11/h9H,3-8,11H2,1-2H3
InChIKeyNSIJPXZTZFRONL-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.11
Rot. Bonds3

About 3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 2756459) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID2756459
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)N1CCN(C(=O)CCN)CC1
InChIInChI=1S/C10H21N3O/c1-9(2)12-5-7-13(8-6-12)10(14)3-4-11/h9H,3-8,11H2,1-2H3
InChIKeyNSIJPXZTZFRONL-UHFFFAOYSA-N
XLogP-0.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 2756459) is 3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CC(C)N1CCN(C(=O)CCN)CC1.
What is the InChIKey of 3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is NSIJPXZTZFRONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-9(2)12-5-7-13(8-6-12)10(14)3-4-11/h9H,3-8,11H2,1-2H3.
What are the key properties of 3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 199.30 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 2756459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).