4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one

C17H32N2O — CID 63236972

IUPAC4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)CC2CCN(C)CC2)C1
InChIInChI=1S/C17H32N2O/c1-4-14-5-6-17(20)16(11-14)13-19(3)12-15-7-9-18(2)10-8-15/h14-16H,4-13H2,1-3H3
InChIKeyZLOMYGBJRDWYIU-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.66
Rot. Bonds5

About 4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one

4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one (PubChem CID 63236972) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one
PubChem CID63236972
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)CC2CCN(C)CC2)C1
InChIInChI=1S/C17H32N2O/c1-4-14-5-6-17(20)16(11-14)13-19(3)12-15-7-9-18(2)10-8-15/h14-16H,4-13H2,1-3H3
InChIKeyZLOMYGBJRDWYIU-UHFFFAOYSA-N
XLogP2.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one with MolForge

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Related Compounds

2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 63236354
4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one
CID 79312395
4-ethyl-2-[[methyl(2-methylbutyl)amino]methyl]cyclohexan-1-one
CID 62612859
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 115240224
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 81074044
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 62612233
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 62612035
4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 63964938
4-ethyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexan-1-one
CID 62613388
4-ethyl-2-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]cyclohexan-1-one
CID 55094973
4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612203

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one (CID 63236972) is 4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN(C)CC2CCN(C)CC2)C1.
What is the InChIKey of 4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one?
The InChIKey is ZLOMYGBJRDWYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-14-5-6-17(20)16(11-14)13-19(3)12-15-7-9-18(2)10-8-15/h14-16H,4-13H2,1-3H3.
What are the key properties of 4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one?
4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one has a molecular weight of 280.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 63236972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).