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

C17H25NO2 — CID 60681856

IUPAC2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
SMILESCC(C)(C)c1ccccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C17H25NO2/c1-17(2,3)14-9-5-6-10-15(14)20-13-16(19)18-11-7-4-8-12-18/h5-6,9-10H,4,7-8,11-13H2,1-3H3
InChIKeyRCPLQSQEPHDLMF-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.38
Rot. Bonds3

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

2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone (PubChem CID 60681856) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
PubChem CID60681856
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
SMILESCC(C)(C)c1ccccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C17H25NO2/c1-17(2,3)14-9-5-6-10-15(14)20-13-16(19)18-11-7-4-8-12-18/h5-6,9-10H,4,7-8,11-13H2,1-3H3
InChIKeyRCPLQSQEPHDLMF-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-(azepan-1-ylsulfonyl)piperazin-1-yl]-2-(2-tert-butylphenoxy)ethanone
CID 24658602
1-(4-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
CID 92922616
1-(3-aminopiperidin-1-yl)-2-(2-tert-butylphenoxy)ethanone
CID 119379721
2-[1-[2-(2-tert-butylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 56813572
1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-tert-butylphenoxy)ethanone
CID 54852543
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-tert-butylphenoxy)ethanone
CID 119411568
2-(2-tert-butylphenoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 78806147
2-(2-tert-butylphenoxy)-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 31059122
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345
1-[2-(2-tert-butylphenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 60551898
2-(2-tert-butylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17050670
N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 17050921

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone (CID 60681856) is 2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone is CC(C)(C)c1ccccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone?
The InChIKey is RCPLQSQEPHDLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)14-9-5-6-10-15(14)20-13-16(19)18-11-7-4-8-12-18/h5-6,9-10H,4,7-8,11-13H2,1-3H3.
What are the key properties of 2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone?
2-(2-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-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone is sourced from PubChem (CID 60681856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).