(2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one

C11H23N3O — CID 104937377

IUPAC(2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
SMILESCC[C@@H](N)C(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C11H23N3O/c1-5-10(12)11(15)14-6-8(2)13(4)9(3)7-14/h8-10H,5-7,12H2,1-4H3/t8?,9?,10-/m1/s1
InChIKeyKUVAVWRQNNCJDW-UDNWOFFPSA-N
MW213.32 g/mol
LogP0.27
Rot. Bonds2

About (2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one

(2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one (PubChem CID 104937377) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
PubChem CID104937377
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
SMILESCC[C@@H](N)C(=O)N1CC(C)N(C)C(C)C1
InChIInChI=1S/C11H23N3O/c1-5-10(12)11(15)14-6-8(2)13(4)9(3)7-14/h8-10H,5-7,12H2,1-4H3/t8?,9?,10-/m1/s1
InChIKeyKUVAVWRQNNCJDW-UDNWOFFPSA-N
XLogP0.27
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]butan-1-one
CID 107220584
2-amino-1-(3,4,5-trimethylpiperazin-1-yl)pent-4-yn-1-one
CID 114536814
2-amino-4-methylsulfonyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536852
3-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536652
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one
CID 79025192
4-amino-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536787
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
2-amino-1-(2,4-dimethylpyrrolidin-1-yl)butan-1-one
CID 115734693
(2R)-2-amino-1-(3-ethyl-4-methylpiperazin-1-yl)butan-1-one
CID 79023529
1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476
3-(ethylamino)-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114536739

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one?
The IUPAC name of (2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one (CID 104937377) is (2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one is CC[C@@H](N)C(=O)N1CC(C)N(C)C(C)C1.
What is the InChIKey of (2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one?
The InChIKey is KUVAVWRQNNCJDW-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H23N3O/c1-5-10(12)11(15)14-6-8(2)13(4)9(3)7-14/h8-10H,5-7,12H2,1-4H3/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one?
(2R)-2-amino-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one has a molecular weight of 213.32 g/mol, XLogP of 0.27, 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-(3,4,5-trimethylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 104937377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).