tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate

C13H24N2O3 — CID 166542546

IUPACtert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate
SMILESCC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1
InChIInChI=1S/C13H24N2O3/c1-9-7-14(11(3)16)8-10(2)15(9)12(17)18-13(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10+
InChIKeyCIPQQDGPXXBCPG-AOOOYVTPSA-N
MW256.35 g/mol
LogP1.86
Rot. Bonds

About tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate

tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate (PubChem CID 166542546) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate
PubChem CID166542546
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate
SMILESCC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1
InChIInChI=1S/C13H24N2O3/c1-9-7-14(11(3)16)8-10(2)15(9)12(17)18-13(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10+
InChIKeyCIPQQDGPXXBCPG-AOOOYVTPSA-N
XLogP1.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
tert-butyl 3-acetyl-3,6-diazabicyclo[3.2.0]heptane-6-carboxylate
CID 126758495
tert-butyl (3R,5S)-3,5-dimethyl-4-(2-methylpropanoyl)piperazine-1-carboxylate
CID 169045086
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 67823358
ditert-butyl 3-acetyl-3,6,7-triazabicyclo[3.2.1]octane-6,7-dicarboxylate
CID 168885528
tert-butyl (2S,6S)-4-(5-methoxypentanoyl)-2,6-dimethylpiperazine-1-carboxylate
CID 124559593
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
(2S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylic acid
CID 175521904
tert-butyl (2S,6R)-4-(cyanomethyl)-2,6-dimethylpiperazine-1-carboxylate
CID 121316996
tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 154945211
5-acetyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-7-carboxylic acid
CID 166553880
tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate
CID 129258263

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate (CID 166542546) is tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate is CC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1.
What is the InChIKey of tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is CIPQQDGPXXBCPG-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-7-14(11(3)16)8-10(2)15(9)12(17)18-13(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10+.
What are the key properties of tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate?
tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6S)-4-acetyl-2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 166542546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).