4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one

C19H29NO2 — CID 19173677

IUPAC4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one
SMILESCC(C)(C)c1ccc(OCCCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-19(2,3)16-9-11-17(12-10-16)22-15-7-8-18(21)20-13-5-4-6-14-20/h9-12H,4-8,13-15H2,1-3H3
InChIKeyVHGGPRXHDIKUFE-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.16
Rot. Bonds5

About 4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one

4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one (PubChem CID 19173677) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one
PubChem CID19173677
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one
SMILESCC(C)(C)c1ccc(OCCCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H29NO2/c1-19(2,3)16-9-11-17(12-10-16)22-15-7-8-18(21)20-13-5-4-6-14-20/h9-12H,4-8,13-15H2,1-3H3
InChIKeyVHGGPRXHDIKUFE-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(4-tert-butylphenoxy)butanoyl]-1,4-diazepan-1-yl]pentan-1-one
CID 108546968
1-[4-[4-(4-tert-butylphenoxy)butanoyl]piperazin-1-yl]pentane-1,4-dione
CID 108536229
4-(4-tert-butylphenoxy)-1-[4-(3-methoxypropanoyl)-1,4-diazepan-1-yl]butan-1-one
CID 108546973
4-(4-tert-butylphenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one
CID 9118292
4-(4-tert-butylphenoxy)-1-[4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]butan-1-one
CID 108546967
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
1-(azepan-1-yl)-4-(4-methylsulfonylphenoxy)butan-1-one
CID 51096241
4-(4-tert-butylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)butan-1-one
CID 166191715
4-(4-tert-butylphenoxy)-1-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 108546982
4-(4-tert-butylphenoxy)-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 108546976
1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(4-tert-butylphenoxy)butan-1-one
CID 16550663
N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide
CID 108882798

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one (CID 19173677) is 4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one is CC(C)(C)c1ccc(OCCCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one?
The InChIKey is VHGGPRXHDIKUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-19(2,3)16-9-11-17(12-10-16)22-15-7-8-18(21)20-13-5-4-6-14-20/h9-12H,4-8,13-15H2,1-3H3.
What are the key properties of 4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one?
4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one has a molecular weight of 303.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 19173677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).