4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one

C13H25NO2 — CID 176984393

IUPAC4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one
SMILESCC(C)C(=O)CCOCCN1CCCCC1
InChIInChI=1S/C13H25NO2/c1-12(2)13(15)6-10-16-11-9-14-7-4-3-5-8-14/h12H,3-11H2,1-2H3
InChIKeyRZSHTGDEDKMQBR-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds7

About 4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one

4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one (PubChem CID 176984393) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one
PubChem CID176984393
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one
SMILESCC(C)C(=O)CCOCCN1CCCCC1
InChIInChI=1S/C13H25NO2/c1-12(2)13(15)6-10-16-11-9-14-7-4-3-5-8-14/h12H,3-11H2,1-2H3
InChIKeyRZSHTGDEDKMQBR-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(azetidin-1-yl)-4-methylpentan-3-one
CID 131213332
3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one
CID 170541307
4-methyl-1-[2-[2-[2-[2-[3-(4-methylpiperazin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 178062981
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one
CID 176767842
3-methyl-1-piperidin-1-ylbutan-2-one
CID 160735866
ethane;N-methyl-5-[3-(2-piperidin-1-ylethoxy)propoxy]pentanamide
CID 142391107
1-[2-[(E)-3-ethylpent-3-enoxy]ethyl]pyrrolidine
CID 142237083
2-piperidin-1-ylethyl 2-methylbutanoate
CID 20697106
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
1-(2-ethoxyethyl)piperidine
CID 22622871
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one
CID 167242279

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one?
The IUPAC name of 4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one (CID 176984393) is 4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one.
What is the SMILES notation for 4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one?
The canonical SMILES for 4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one is CC(C)C(=O)CCOCCN1CCCCC1.
What is the InChIKey of 4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one?
The InChIKey is RZSHTGDEDKMQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2)13(15)6-10-16-11-9-14-7-4-3-5-8-14/h12H,3-11H2,1-2H3.
What are the key properties of 4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one?
4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one has a molecular weight of 227.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one is sourced from PubChem (CID 176984393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).