(2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one

C9H19N3O — CID 63634392

IUPAC(2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C(=O)[C@@H](C)N)CCN1C
InChIInChI=1S/C9H19N3O/c1-7-6-12(5-4-11(7)3)9(13)8(2)10/h7-8H,4-6,10H2,1-3H3/t7?,8-/m1/s1
InChIKeyFWZVZRKUAGMWSM-BRFYHDHCSA-N
MW185.27 g/mol
LogP-0.50
Rot. Bonds1

About (2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one

(2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one (PubChem CID 63634392) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
PubChem CID63634392
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
SMILESCC1CN(C(=O)[C@@H](C)N)CCN1C
InChIInChI=1S/C9H19N3O/c1-7-6-12(5-4-11(7)3)9(13)8(2)10/h7-8H,4-6,10H2,1-3H3/t7?,8-/m1/s1
InChIKeyFWZVZRKUAGMWSM-BRFYHDHCSA-N
XLogP-0.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 63609743
2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one
CID 154650946
2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-methylpentan-1-one
CID 63634723
2-amino-1-(4-ethyl-3-methylpiperazin-1-yl)propan-1-one
CID 63633519
3-chloro-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 63609559
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)propan-1-one
CID 78946636
(2R)-2-amino-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 120874133
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
2-amino-1-(6-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 176568034
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 113279250
2-(3-aminocyclohexyl)-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
CID 106592903
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one (CID 63634392) is (2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one is CC1CN(C(=O)[C@@H](C)N)CCN1C.
What is the InChIKey of (2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one?
The InChIKey is FWZVZRKUAGMWSM-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7-6-12(5-4-11(7)3)9(13)8(2)10/h7-8H,4-6,10H2,1-3H3/t7?,8-/m1/s1.
What are the key properties of (2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one?
(2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one has a molecular weight of 185.27 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 63634392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).