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

C13H24N2O — CID 114515872

IUPAC1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one
SMILESCN1CCC(CCN2CCC(=O)CC2)CC1
InChIInChI=1S/C13H24N2O/c1-14-7-2-12(3-8-14)4-9-15-10-5-13(16)6-11-15/h12H,2-11H2,1H3
InChIKeyKOWHZDZDVMJBNQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.38
Rot. Bonds3

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

1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one (PubChem CID 114515872) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one
PubChem CID114515872
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one
SMILESCN1CCC(CCN2CCC(=O)CC2)CC1
InChIInChI=1S/C13H24N2O/c1-14-7-2-12(3-8-14)4-9-15-10-5-13(16)6-11-15/h12H,2-11H2,1H3
InChIKeyKOWHZDZDVMJBNQ-UHFFFAOYSA-N
XLogP1.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60854921
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclohexan-1-one
CID 115240224
4-[[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]methyl]cyclohexan-1-one
CID 115240296
9-[2-(1-methylpiperidin-4-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 114516711
2-methyl-7-[2-(1-methylpiperidin-4-yl)ethyl]-2,7-diazaspiro[3.5]nonane
CID 169319615
N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine
CID 138646011
4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
CID 175626941
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 114515912
1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine
CID 143388333
1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine
CID 167265160
1-ethyl-4-[2-(1-methylpyrrolidin-3-yl)ethyl]piperazine
CID 156559020

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one?
The IUPAC name of 1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one (CID 114515872) is 1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one?
The canonical SMILES for 1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one is CN1CCC(CCN2CCC(=O)CC2)CC1.
What is the InChIKey of 1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one?
The InChIKey is KOWHZDZDVMJBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-14-7-2-12(3-8-14)4-9-15-10-5-13(16)6-11-15/h12H,2-11H2,1H3.
What are the key properties of 1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one?
1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one has a molecular weight of 224.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one is sourced from PubChem (CID 114515872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).