1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one

C14H27NO3 — CID 103409848

IUPAC1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one
SMILESCOCCOCCCN1CCCCC1CC(C)=O
InChIInChI=1S/C14H27NO3/c1-13(16)12-14-6-3-4-7-15(14)8-5-9-18-11-10-17-2/h14H,3-12H2,1-2H3
InChIKeyFMJQEEFZFJOIBS-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.87
Rot. Bonds9

About 1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one

1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one (PubChem CID 103409848) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one
PubChem CID103409848
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one
SMILESCOCCOCCCN1CCCCC1CC(C)=O
InChIInChI=1S/C14H27NO3/c1-13(16)12-14-6-3-4-7-15(14)8-5-9-18-11-10-17-2/h14H,3-12H2,1-2H3
InChIKeyFMJQEEFZFJOIBS-UHFFFAOYSA-N
XLogP1.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2-(2-methoxyethoxy)ethyl]azepan-2-yl]propan-2-one
CID 79560356
1-[1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-2-yl]propan-2-one
CID 103179808
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]propan-2-one
CID 79537541
methyl 4-[2-(2-oxopropyl)piperidin-1-yl]butanoate
CID 79538399
1-(1-octylpiperidin-2-yl)propan-2-one
CID 79537819
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
1-[1-[3-(dimethylamino)propyl]azepan-2-yl]propan-2-one
CID 114525397
ethyl 6-[2-(2-oxopropyl)azepan-1-yl]hexanoate
CID 79540569
[1-(4-methoxybutyl)azepan-2-yl]methanol
CID 116637260
2-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 113427471
2-(3-bromopropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413123
2-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413024

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one (CID 103409848) is 1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one is COCCOCCCN1CCCCC1CC(C)=O.
What is the InChIKey of 1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one?
The InChIKey is FMJQEEFZFJOIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(16)12-14-6-3-4-7-15(14)8-5-9-18-11-10-17-2/h14H,3-12H2,1-2H3.
What are the key properties of 1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one?
1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one has a molecular weight of 257.37 g/mol, XLogP of 1.87, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-methoxyethoxy)propyl]piperidin-2-yl]propan-2-one is sourced from PubChem (CID 103409848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).