3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one

C17H33NO3 — CID 170541307

IUPAC3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one
SMILESCC(C)C(=O)COCCOCCN1CCC(C(C)C)CC1
InChIInChI=1S/C17H33NO3/c1-14(2)16-5-7-18(8-6-16)9-10-20-11-12-21-13-17(19)15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyKLYJUSZAPPFHAC-UHFFFAOYSA-N
MW299.45 g/mol
LogP2.61
Rot. Bonds10

About 3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one

3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one (PubChem CID 170541307) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one
PubChem CID170541307
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Name3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one
SMILESCC(C)C(=O)COCCOCCN1CCC(C(C)C)CC1
InChIInChI=1S/C17H33NO3/c1-14(2)16-5-7-18(8-6-16)9-10-20-11-12-21-13-17(19)15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyKLYJUSZAPPFHAC-UHFFFAOYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-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

2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
1-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]ethanol
CID 103684371
4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one
CID 176984393
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
4-(4-propan-2-ylpiperidin-1-yl)butyl hypofluorite
CID 176985714
1-[1-[2-(2-chloroethoxy)ethyl]piperidin-4-yl]ethanol
CID 106837357
1-ethyl-4-[2-(4-propan-2-ylpiperidin-1-yl)ethoxymethyl]piperidine
CID 176983279
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306
1-decyl-4-propan-2-ylpiperidine
CID 166461232
3-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]propyl 2-methylpropanoate
CID 171053377
2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138728006

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one?
The IUPAC name of 3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one (CID 170541307) is 3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one.
What is the SMILES notation for 3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one?
The canonical SMILES for 3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one is CC(C)C(=O)COCCOCCN1CCC(C(C)C)CC1.
What is the InChIKey of 3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one?
The InChIKey is KLYJUSZAPPFHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-14(2)16-5-7-18(8-6-16)9-10-20-11-12-21-13-17(19)15(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of 3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one?
3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one has a molecular weight of 299.45 g/mol, XLogP of 2.61, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one is sourced from PubChem (CID 170541307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).