5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine

C17H35N3 — CID 64947875

IUPAC5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine
SMILESCCN1CCC(CN2CC(CC)(CC)NCC2C)CC1
InChIInChI=1S/C17H35N3/c1-5-17(6-2)14-20(15(4)12-18-17)13-16-8-10-19(7-3)11-9-16/h15-16,18H,5-14H2,1-4H3
InChIKeyASHQYMMADZCOAB-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds5

About 5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine

5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine (PubChem CID 64947875) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine
PubChem CID64947875
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine
SMILESCCN1CCC(CN2CC(CC)(CC)NCC2C)CC1
InChIInChI=1S/C17H35N3/c1-5-17(6-2)14-20(15(4)12-18-17)13-16-8-10-19(7-3)11-9-16/h15-16,18H,5-14H2,1-4H3
InChIKeyASHQYMMADZCOAB-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64933993
1-(cyclobutylmethyl)-2,5,5-trimethylpiperazine
CID 64934999
1-(cyclopropylmethyl)-2,5,5-trimethylpiperazine
CID 64840059
2-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-4-methylmorpholine
CID 79078121
1-(cyclohexylmethyl)-5-ethyl-2,5-dimethylpiperazine
CID 64847892
5,5-diethyl-2-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102901650
5,5-diethyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64862336
2-cyclohexyl-1-(cyclopropylmethyl)-5,5-diethylpiperazine
CID 64860640
1-cyclobutyl-5,5-diethyl-2-methylpiperazine
CID 64948334
2-butan-2-yl-1-(cyclopentylmethyl)-5,5-diethylpiperazine
CID 64861206
5,5-diethyl-2-methyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64860416
ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156885432

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine?
The IUPAC name of 5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine (CID 64947875) is 5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine.
What is the SMILES notation for 5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine?
The canonical SMILES for 5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine is CCN1CCC(CN2CC(CC)(CC)NCC2C)CC1.
What is the InChIKey of 5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine?
The InChIKey is ASHQYMMADZCOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-5-17(6-2)14-20(15(4)12-18-17)13-16-8-10-19(7-3)11-9-16/h15-16,18H,5-14H2,1-4H3.
What are the key properties of 5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine?
5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine is sourced from PubChem (CID 64947875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).