2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one

C13H26N2O — CID 176724089

IUPAC2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
SMILESCC(C)C(C)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-10(2)12(5)13(16)15-8-6-14(7-9-15)11(3)4/h10-12H,6-9H2,1-5H3
InChIKeyKFRIUGASFFXENP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.83
Rot. Bonds3

About 2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one

2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 176724089) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
PubChem CID176724089
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
SMILESCC(C)C(C)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-10(2)12(5)13(16)15-8-6-14(7-9-15)11(3)4/h10-12H,6-9H2,1-5H3
InChIKeyKFRIUGASFFXENP-UHFFFAOYSA-N
XLogP1.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aziridin-1-yl)-2,3-dimethylbutan-1-one
CID 126991389
3-amino-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 120502801
2-hydroxy-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 134435805
2-bromo-3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 43585221
2-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 86990301
methyl 4-propan-2-ylpiperazine-1-carboxylate
CID 59264587
2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 59855855
3-amino-2-methoxy-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 106111361
ethane;N-methyl-4-propan-2-ylpiperazine-1-carboxamide
CID 143433022
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 145315809
1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one
CID 166996653
1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one
CID 107224947

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of 2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one (CID 176724089) is 2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one is CC(C)C(C)C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
The InChIKey is KFRIUGASFFXENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(2)12(5)13(16)15-8-6-14(7-9-15)11(3)4/h10-12H,6-9H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one?
2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 226.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 176724089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).