2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one

C14H28N2O — CID 83989799

IUPAC2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
SMILESCCC1CC(NC)CN(C(=O)C(CC)CC)C1
InChIInChI=1S/C14H28N2O/c1-5-11-8-13(15-4)10-16(9-11)14(17)12(6-2)7-3/h11-13,15H,5-10H2,1-4H3
InChIKeyYJCTWWVPWLTHEM-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds5

About 2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one

2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one (PubChem CID 83989799) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
PubChem CID83989799
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
SMILESCCC1CC(NC)CN(C(=O)C(CC)CC)C1
InChIInChI=1S/C14H28N2O/c1-5-11-8-13(15-4)10-16(9-11)14(17)12(6-2)7-3/h11-13,15H,5-10H2,1-4H3
InChIKeyYJCTWWVPWLTHEM-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

ethyl 3-ethyl-5-(methylamino)piperidine-1-carboxylate
CID 83989692
1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989767
2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid
CID 64604130
2-ethyl-1-[3-methyl-5-(propylamino)piperidin-1-yl]butan-1-one
CID 112541295
N-(1-acetyl-5-ethylpiperidin-3-yl)acetamide
CID 112541798
2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 62371308
1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83991039
2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818218
1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83990412
1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989732
1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83996520
ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate
CID 83992937

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one (CID 83989799) is 2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one is CCC1CC(NC)CN(C(=O)C(CC)CC)C1.
What is the InChIKey of 2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one?
The InChIKey is YJCTWWVPWLTHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-11-8-13(15-4)10-16(9-11)14(17)12(6-2)7-3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one?
2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 83989799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).