(2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one

C9H18N2O2 — CID 130635624

IUPAC(2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one
SMILESC[C@H](O)C(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C9H18N2O2/c1-7(12)8(13)11-5-4-10-9(2,3)6-11/h7,10,12H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyOFTDJLCZABBZKB-ZETCQYMHSA-N
MW186.25 g/mol
LogP-0.42
Rot. Bonds1

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

(2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one (PubChem CID 130635624) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one
PubChem CID130635624
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one
SMILESC[C@H](O)C(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C9H18N2O2/c1-7(12)8(13)11-5-4-10-9(2,3)6-11/h7,10,12H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyOFTDJLCZABBZKB-ZETCQYMHSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one
CID 119141401
1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 79001578
(2R)-2-hydroxy-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444442
2,2,2-trichloro-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 82245855
1-(3,3-dimethylpiperazin-1-yl)-3,5,5-trimethylhexan-1-one
CID 79507159
(3,3-dimethylpiperazin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130679550
cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506379
(2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
CID 130736766
(3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 114189006
1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 58959831
2-hydroxy-1-[3-methyl-3-(methylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 123299254
2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 79506874

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one?
The IUPAC name of (2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one (CID 130635624) is (2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for (2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one?
The canonical SMILES for (2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one is C[C@H](O)C(=O)N1CCNC(C)(C)C1.
What is the InChIKey of (2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one?
The InChIKey is OFTDJLCZABBZKB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(12)8(13)11-5-4-10-9(2,3)6-11/h7,10,12H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one?
(2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,3-dimethylpiperazin-1-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 130635624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).