5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one

C12H24N2O — CID 63635156

IUPAC5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one
SMILESCC(=O)CCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H24N2O/c1-11(15)6-5-7-14-9-8-13(4)12(2,3)10-14/h5-10H2,1-4H3
InChIKeyCEHBFGNIHVFVET-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.38
Rot. Bonds4

About 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one

5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one (PubChem CID 63635156) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one.

Molecular Properties

Compound Name5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one
PubChem CID63635156
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one
SMILESCC(=O)CCCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C12H24N2O/c1-11(15)6-5-7-14-9-8-13(4)12(2,3)10-14/h5-10H2,1-4H3
InChIKeyCEHBFGNIHVFVET-UHFFFAOYSA-N
XLogP1.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63608884
4-(3,3,4-trimethylpiperazin-1-yl)butanimidamide
CID 63610574
2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 65254593
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-ol
CID 63635754
6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
CID 63608610
1-piperazin-1-yl-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63608644
4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one
CID 114228996
5-(4,4-dimethylazepan-1-yl)pentan-2-one
CID 65282476
ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate
CID 63633515
2-(ethylamino)-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63635964
6-(4-ethylpiperazin-1-yl)hexan-2-one
CID 43792758
N-propyl-6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
CID 63611239

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one?
The IUPAC name of 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one (CID 63635156) is 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one.
What is the SMILES notation for 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one?
The canonical SMILES for 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one is CC(=O)CCCN1CCN(C)C(C)(C)C1.
What is the InChIKey of 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one?
The InChIKey is CEHBFGNIHVFVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(15)6-5-7-14-9-8-13(4)12(2,3)10-14/h5-10H2,1-4H3.
What are the key properties of 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one?
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one is sourced from PubChem (CID 63635156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).