2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone

C17H25NO2 — CID 110767571

IUPAC2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone
SMILESCOc1ccc(CC(=O)N2CCCCC2)cc1C(C)C
InChIInChI=1S/C17H25NO2/c1-13(2)15-11-14(7-8-16(15)20-3)12-17(19)18-9-5-4-6-10-18/h7-8,11,13H,4-6,9-10,12H2,1-3H3
InChIKeyGPPPYZWJLZGSKD-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.37
Rot. Bonds4

About 2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone

2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone (PubChem CID 110767571) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone
PubChem CID110767571
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone
SMILESCOc1ccc(CC(=O)N2CCCCC2)cc1C(C)C
InChIInChI=1S/C17H25NO2/c1-13(2)15-11-14(7-8-16(15)20-3)12-17(19)18-9-5-4-6-10-18/h7-8,11,13H,4-6,9-10,12H2,1-3H3
InChIKeyGPPPYZWJLZGSKD-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(4-methoxy-3-propan-2-ylphenyl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110805869
1-(azepan-1-yl)-2-(3-chloro-4-methoxyphenyl)ethanone
CID 110767076
1-(azetidin-1-yl)-2-(3-methoxy-4-propan-2-ylphenyl)ethanone;1-(azetidin-1-yl)-2-(4-propan-2-ylphenyl)ethanone;2-(3-methoxy-4-propan-2-ylphenyl)-1-pyrrolidin-1-ylethanone
CID 159552908
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110767033
4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812118
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 71313895
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110805950
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 108544494
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone (CID 110767571) is 2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone is COc1ccc(CC(=O)N2CCCCC2)cc1C(C)C.
What is the InChIKey of 2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone?
The InChIKey is GPPPYZWJLZGSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)15-11-14(7-8-16(15)20-3)12-17(19)18-9-5-4-6-10-18/h7-8,11,13H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone?
2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone has a molecular weight of 275.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 110767571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).