(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one

C9H18N2O2 — CID 96682051

IUPAC(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCOC[C@H](C)C(=O)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-8(7-13-2)9(12)11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyQTMBCZCUHSJCAF-QMMMGPOBSA-N
MW186.25 g/mol
LogP-0.30
Rot. Bonds3

About (2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one

(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one (PubChem CID 96682051) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
PubChem CID96682051
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
SMILESCOC[C@H](C)C(=O)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-8(7-13-2)9(12)11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyQTMBCZCUHSJCAF-QMMMGPOBSA-N
XLogP-0.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of (2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one (CID 96682051) is (2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for (2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one is COC[C@H](C)C(=O)N1CCNCC1.
What is the InChIKey of (2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is QTMBCZCUHSJCAF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(7-13-2)9(12)11-5-3-10-4-6-11/h8,10H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one?
(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 186.25 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 96682051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).