2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one

C15H30N2O — CID 114498212

IUPAC2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCC(NC)C(C)C1
InChIInChI=1S/C15H30N2O/c1-5-7-8-13(6-2)15(18)17-10-9-14(16-4)12(3)11-17/h12-14,16H,5-11H2,1-4H3
InChIKeyHBTBQTGHXMAVGG-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.66
Rot. Bonds6

About 2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one

2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one (PubChem CID 114498212) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one
PubChem CID114498212
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one
SMILESCCCCC(CC)C(=O)N1CCC(NC)C(C)C1
InChIInChI=1S/C15H30N2O/c1-5-7-8-13(6-2)15(18)17-10-9-14(16-4)12(3)11-17/h12-14,16H,5-11H2,1-4H3
InChIKeyHBTBQTGHXMAVGG-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818218
1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one
CID 114498267
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one
CID 114960563
1-(3-bromopyrrolidin-1-yl)-2-ethylhexan-1-one
CID 80677700
2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
CID 114498153
2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one
CID 63106212
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
CID 114802168
(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
CID 66707575
N-ethyl-3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498760
N,3-dimethyl-4-(methylamino)piperidine-1-carboxamide
CID 114498742
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one?
The IUPAC name of 2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one (CID 114498212) is 2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one is CCCCC(CC)C(=O)N1CCC(NC)C(C)C1.
What is the InChIKey of 2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one?
The InChIKey is HBTBQTGHXMAVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-5-7-8-13(6-2)15(18)17-10-9-14(16-4)12(3)11-17/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one?
2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 114498212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).