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

C14H26N2O — CID 107912283

IUPAC3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one
SMILESCC1CN(CCC2CCCCN2C)CCC1=O
InChIInChI=1S/C14H26N2O/c1-12-11-16(10-7-14(12)17)9-6-13-5-3-4-8-15(13)2/h12-13H,3-11H2,1-2H3
InChIKeyYQNHERBEGIZYEH-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.77
Rot. Bonds3

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

3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one (PubChem CID 107912283) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one
PubChem CID107912283
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one
SMILESCC1CN(CCC2CCCCN2C)CCC1=O
InChIInChI=1S/C14H26N2O/c1-12-11-16(10-7-14(12)17)9-6-13-5-3-4-8-15(13)2/h12-13H,3-11H2,1-2H3
InChIKeyYQNHERBEGIZYEH-UHFFFAOYSA-N
XLogP1.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-ol
CID 62917003
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-yl]ethanamine
CID 114015284
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-ol
CID 60689916
4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 55226113
ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate
CID 81338983
1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one
CID 114500199
1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine
CID 146135929
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)ethyl]piperazine
CID 127711647
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine
CID 107910860
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 107912652
3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione
CID 114015239

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one?
The IUPAC name of 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one (CID 107912283) is 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one.
What is the SMILES notation for 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one?
The canonical SMILES for 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one is CC1CN(CCC2CCCCN2C)CCC1=O.
What is the InChIKey of 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one?
The InChIKey is YQNHERBEGIZYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12-11-16(10-7-14(12)17)9-6-13-5-3-4-8-15(13)2/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one?
3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one has a molecular weight of 238.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-4-one is sourced from PubChem (CID 107912283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).