2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one

C14H21N3O — CID 3620866

IUPAC2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCN1CCN(C(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-16-7-9-17(10-8-16)14(18)13(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3
InChIKeyRWTLIEHGUJVESA-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.33
Rot. Bonds3

About 2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one

2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one (PubChem CID 3620866) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
PubChem CID3620866
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
SMILESCN1CCN(C(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C14H21N3O/c1-16-7-9-17(10-8-16)14(18)13(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3
InChIKeyRWTLIEHGUJVESA-UHFFFAOYSA-N
XLogP0.33
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one (CID 3620866) is 2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one is CN1CCN(C(=O)C(N)Cc2ccccc2)CC1.
What is the InChIKey of 2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
The InChIKey is RWTLIEHGUJVESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-7-9-17(10-8-16)14(18)13(15)11-12-5-3-2-4-6-12/h2-6,13H,7-11,15H2,1H3.
What are the key properties of 2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one?
2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 3620866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).