1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone

C17H25NO2 — CID 82053961

IUPAC1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
SMILESCOc1ccc(C(C)C)cc1C(=O)CN1CCCCC1
InChIInChI=1S/C17H25NO2/c1-13(2)14-7-8-17(20-3)15(11-14)16(19)12-18-9-5-4-6-10-18/h7-8,11,13H,4-6,9-10,12H2,1-3H3
InChIKeyIXNIEAJHEQSZMH-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.49
Rot. Bonds5

About 1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone

1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone (PubChem CID 82053961) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
PubChem CID82053961
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
SMILESCOc1ccc(C(C)C)cc1C(=O)CN1CCCCC1
InChIInChI=1S/C17H25NO2/c1-13(2)14-7-8-17(20-3)15(11-14)16(19)12-18-9-5-4-6-10-18/h7-8,11,13H,4-6,9-10,12H2,1-3H3
InChIKeyIXNIEAJHEQSZMH-UHFFFAOYSA-N
XLogP3.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aziridin-1-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 94685963
1-(2-ethoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
CID 82053998
4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid
CID 82052295
2-methoxy-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 82053950
1-(2-ethoxy-5-propan-2-ylphenyl)-2-(4-methylpiperidin-1-yl)ethanone
CID 82054000
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
1-(2-methoxy-5-propan-2-ylphenyl)pentane-1,4-dione
CID 94689449
1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 82053056
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110800214
2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191529
1-(2-methoxy-5-propan-2-ylphenyl)butane-1,2-dione
CID 94686155

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone (CID 82053961) is 1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone is COc1ccc(C(C)C)cc1C(=O)CN1CCCCC1.
What is the InChIKey of 1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone?
The InChIKey is IXNIEAJHEQSZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)14-7-8-17(20-3)15(11-14)16(19)12-18-9-5-4-6-10-18/h7-8,11,13H,4-6,9-10,12H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone?
1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone has a molecular weight of 275.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 82053961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).