1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one

C13H26N2O — CID 62625465

IUPAC1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one
SMILESCCN1CCN(CCC(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-5-14-8-10-15(11-9-14)7-6-12(16)13(2,3)4/h5-11H2,1-4H3
InChIKeyBFKYMHYBRSBASP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds4

About 1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one

1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one (PubChem CID 62625465) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one
PubChem CID62625465
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one
SMILESCCN1CCN(CCC(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-5-14-8-10-15(11-9-14)7-6-12(16)13(2,3)4/h5-11H2,1-4H3
InChIKeyBFKYMHYBRSBASP-UHFFFAOYSA-N
XLogP1.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-3-one
CID 62968608
4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-one
CID 62624586
1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one
CID 118358850
4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one
CID 62624932
4-(4-ethylpiperazin-1-yl)butan-2-one
CID 20802873
1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one
CID 103578354
1-(1,1-dioxo-1,4-thiazepan-4-yl)-4,4-dimethylpentan-3-one
CID 103578357
6-(4-ethylpiperazin-1-yl)hexan-2-one
CID 43792758
1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one
CID 62623866
3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide
CID 123304936
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
N-butyl-3-(4-ethylpiperazin-1-yl)propanamide
CID 109012188

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one (CID 62625465) is 1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one is CCN1CCN(CCC(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one?
The InChIKey is BFKYMHYBRSBASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-14-8-10-15(11-9-14)7-6-12(16)13(2,3)4/h5-11H2,1-4H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one?
1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one has a molecular weight of 226.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 62625465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).