1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one

C24H49N3O — CID 163269179

IUPAC1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one
SMILESCCN(CC)CCN(C)CC1CCN(C(=O)C(C)(C)CC(C)(C)C(C)C)CC1
InChIInChI=1S/C24H49N3O/c1-10-26(11-2)17-16-25(9)18-21-12-14-27(15-13-21)22(28)24(7,8)19-23(5,6)20(3)4/h20-21H,10-19H2,1-9H3
InChIKeyZAWOGCCHLPHSGW-UHFFFAOYSA-N
MW395.68 g/mol
LogP4.60
Rot. Bonds11

About 1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one

1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one (PubChem CID 163269179) has the molecular formula C24H49N3O and a molecular weight of 395.68 g/mol. Its IUPAC name is 1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one.

Molecular Properties

Compound Name1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one
PubChem CID163269179
Molecular FormulaC24H49N3O
Molecular Weight395.68 g/mol
Exact Mass395.39
IUPAC Name1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one
SMILESCCN(CC)CCN(C)CC1CCN(C(=O)C(C)(C)CC(C)(C)C(C)C)CC1
InChIInChI=1S/C24H49N3O/c1-10-26(11-2)17-16-25(9)18-21-12-14-27(15-13-21)22(28)24(7,8)19-23(5,6)20(3)4/h20-21H,10-19H2,1-9H3
InChIKeyZAWOGCCHLPHSGW-UHFFFAOYSA-N
XLogP4.60
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one 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

2,2,4,4,5-pentamethyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]hexan-1-one
CID 162766863
1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3-chloro-2,2-dimethylpropan-1-one
CID 63663822
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 103429730
3-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
CID 126573235
(2S)-2-amino-1-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 61164403
2,2,4,4-tetramethyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-one
CID 163269367
(2S)-2-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119851985
1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one
CID 60776234
2,2-dimethyl-4-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-4-oxobutanoic acid
CID 65302720
tert-butyl 4-[(dipropylamino)methyl]piperidine-1-carboxylate
CID 123464711
3-amino-1-[4-(diethylaminomethyl)piperidin-1-yl]butan-1-one
CID 54874480
2-bromo-1-[4-(diethylaminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 54875819

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one?
The IUPAC name of 1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one (CID 163269179) is 1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one.
What is the SMILES notation for 1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one?
The canonical SMILES for 1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one is CCN(CC)CCN(C)CC1CCN(C(=O)C(C)(C)CC(C)(C)C(C)C)CC1.
What is the InChIKey of 1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one?
The InChIKey is ZAWOGCCHLPHSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N3O/c1-10-26(11-2)17-16-25(9)18-21-12-14-27(15-13-21)22(28)24(7,8)19-23(5,6)20(3)4/h20-21H,10-19H2,1-9H3.
What are the key properties of 1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one?
1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one has a molecular weight of 395.68 g/mol, XLogP of 4.60, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(diethylamino)ethyl-methylamino]methyl]piperidin-1-yl]-2,2,4,4,5-pentamethylhexan-1-one is sourced from PubChem (CID 163269179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).