1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one

C14H28N2O — CID 83990412

IUPAC1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCNC1CC(CC)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C14H28N2O/c1-6-11-8-12(15-7-2)10-16(9-11)13(17)14(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyWLQTXRGGPADRDJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds3

About 1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 83990412) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID83990412
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCNC1CC(CC)CN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C14H28N2O/c1-6-11-8-12(15-7-2)10-16(9-11)13(17)14(3,4)5/h11-12,15H,6-10H2,1-5H3
InChIKeyWLQTXRGGPADRDJ-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 89150280
1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one
CID 83992307
1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999267
1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83990429
tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate
CID 83995714
N-(1-acetyl-5-ethylpiperidin-3-yl)acetamide
CID 112541798
1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83995119
1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83991039
3-[1-carbamoyl-5-(ethylamino)piperidin-3-yl]propanoic acid
CID 83990342
methyl 3-[1-acetyl-5-(ethylamino)piperidin-3-yl]propanoate
CID 83990367
ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate
CID 83992937
1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989767

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 83990412) is 1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one is CCNC1CC(CC)CN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is WLQTXRGGPADRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-11-8-12(15-7-2)10-16(9-11)13(17)14(3,4)5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 83990412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).