2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone

C17H25NO2 — CID 103599891

IUPAC2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
SMILESCCC(C)c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-3-14(2)15-7-9-16(10-8-15)20-13-17(19)18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3
InChIKeyRVXMPVZGBWUOOL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.59
Rot. Bonds5

About 2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone

2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone (PubChem CID 103599891) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
PubChem CID103599891
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
SMILESCCC(C)c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-3-14(2)15-7-9-16(10-8-15)20-13-17(19)18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3
InChIKeyRVXMPVZGBWUOOL-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone
CID 43186019
2-[4-[1-(methylamino)propyl]phenoxy]-1-piperidin-1-ylethanone
CID 43280073
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
2-[4-[[4-[(2S)-butan-2-yl]phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246659
1-(4-butan-2-ylphenoxy)propan-2-one
CID 59101826
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
N'-[2-(4-butan-2-ylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 2965045
1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid
CID 2923057
ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
CID 1082805
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 9319624

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone (CID 103599891) is 2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone is CCC(C)c1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone?
The InChIKey is RVXMPVZGBWUOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-14(2)15-7-9-16(10-8-15)20-13-17(19)18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone?
2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone has a molecular weight of 275.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone is sourced from PubChem (CID 103599891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).