(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone

C14H21N3O — CID 103814599

IUPAC(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone
SMILESCC1CN(C)CCN1C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C14H21N3O/c1-11-10-16(2)8-9-17(11)14(18)13(15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3/t11?,13-/m1/s1
InChIKeyMBVOUCDMELLELD-GLGOKHISSA-N
MW247.34 g/mol
LogP0.85
Rot. Bonds2

About (2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone

(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone (PubChem CID 103814599) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone
PubChem CID103814599
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone
SMILESCC1CN(C)CCN1C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C14H21N3O/c1-11-10-16(2)8-9-17(11)14(18)13(15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3/t11?,13-/m1/s1
InChIKeyMBVOUCDMELLELD-GLGOKHISSA-N
XLogP0.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 103814570
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
(2R)-2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-2-phenylethanone
CID 103833251
(2S)-2-amino-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 102883338
2-amino-1-(2,4-dimethylpiperazin-1-yl)propan-1-one
CID 103814595
1-(2-amino-2-phenylacetyl)-2-methylpiperidine-4-carboxylic acid
CID 106742931
2-amino-1-(2-methyl-4-phenylpyrrolidin-1-yl)-2-phenylethanone;hydrochloride
CID 119327754
1-(2-amino-2-phenylacetyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369260
2-amino-1-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 119330766
(2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone
CID 129436950
benzyl 2,4-dimethylpiperazine-1-carboxylate
CID 110707785
(2R)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylethanone
CID 61165191

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone (CID 103814599) is (2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone is CC1CN(C)CCN1C(=O)[C@H](N)c1ccccc1.
What is the InChIKey of (2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone?
The InChIKey is MBVOUCDMELLELD-GLGOKHISSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-10-16(2)8-9-17(11)14(18)13(15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3/t11?,13-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone?
(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone has a molecular weight of 247.34 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone is sourced from PubChem (CID 103814599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).