2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone

C17H25NO2 — CID 19169351

IUPAC2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
SMILESCC(C)(C)c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-17(2,3)14-7-9-15(10-8-14)20-13-16(19)18-11-5-4-6-12-18/h7-10H,4-6,11-13H2,1-3H3
InChIKeyGYJHJDAPBBDGSA-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.38
Rot. Bonds3

About 2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone

2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone (PubChem CID 19169351) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
PubChem CID19169351
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
SMILESCC(C)(C)c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-17(2,3)14-7-9-15(10-8-14)20-13-16(19)18-11-5-4-6-12-18/h7-10H,4-6,11-13H2,1-3H3
InChIKeyGYJHJDAPBBDGSA-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone
CID 78767794
4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 19173677
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113076572
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
1-pyrrolidin-1-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 71996858
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-tert-butylphenoxy)ethanone
CID 2634555
2-(4-tert-butylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 39867855

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone (CID 19169351) is 2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone is CC(C)(C)c1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone?
The InChIKey is GYJHJDAPBBDGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)14-7-9-15(10-8-14)20-13-16(19)18-11-5-4-6-12-18/h7-10H,4-6,11-13H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone?
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone has a molecular weight of 275.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone is sourced from PubChem (CID 19169351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).