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

C9H19N3O2 — CID 154650946

IUPAC2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one
SMILESCC1CN(C(=O)C(N)CO)CCN1C
InChIInChI=1S/C9H19N3O2/c1-7-5-12(4-3-11(7)2)9(14)8(10)6-13/h7-8,13H,3-6,10H2,1-2H3
InChIKeyOIBBXIVJCMTNKQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.53
Rot. Bonds2

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

2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one (PubChem CID 154650946) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one
PubChem CID154650946
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one
SMILESCC1CN(C(=O)C(N)CO)CCN1C
InChIInChI=1S/C9H19N3O2/c1-7-5-12(4-3-11(7)2)9(14)8(10)6-13/h7-8,13H,3-6,10H2,1-2H3
InChIKeyOIBBXIVJCMTNKQ-UHFFFAOYSA-N
XLogP-1.53
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-(3,4-dimethylpiperazin-1-yl)propan-1-one
CID 63634392
3-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 63609743
2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-methylpentan-1-one
CID 63634723
3-chloro-1-(3,4-dimethylpiperazin-1-yl)-2-methylpropan-1-one
CID 63609559
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one
CID 79023529
(2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 104937377
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 113279250
3-(3,4-dimethylpiperazin-1-yl)-3-oxo-2-phenylpropanethioamide
CID 63619451
(2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one
CID 119880328
(2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 23540162
1-[(3S)-3,4-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 155332143
2-(tert-butylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79256799

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one?
The IUPAC name of 2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one (CID 154650946) is 2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one is CC1CN(C(=O)C(N)CO)CCN1C.
What is the InChIKey of 2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one?
The InChIKey is OIBBXIVJCMTNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7-5-12(4-3-11(7)2)9(14)8(10)6-13/h7-8,13H,3-6,10H2,1-2H3.
What are the key properties of 2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one?
2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one has a molecular weight of 201.27 g/mol, XLogP of -1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-hydroxypropan-1-one is sourced from PubChem (CID 154650946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).