1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone

C19H29NO2 — CID 82053751

IUPAC1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone
SMILESCOc1cc(C)c(C(=O)CN2CCCCC2)cc1C(C)(C)C
InChIInChI=1S/C19H29NO2/c1-14-11-18(22-5)16(19(2,3)4)12-15(14)17(21)13-20-9-7-6-8-10-20/h11-12H,6-10,13H2,1-5H3
InChIKeyYPTHSQRXOVWCKU-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.97
Rot. Bonds4

About 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone

1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone (PubChem CID 82053751) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone
PubChem CID82053751
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone
SMILESCOc1cc(C)c(C(=O)CN2CCCCC2)cc1C(C)(C)C
InChIInChI=1S/C19H29NO2/c1-14-11-18(22-5)16(19(2,3)4)12-15(14)17(21)13-20-9-7-6-8-10-20/h11-12H,6-10,13H2,1-5H3
InChIKeyYPTHSQRXOVWCKU-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid
CID 82052295
1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 82053056
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one
CID 82053745
1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761833
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone
CID 94978957
2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
2-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)ethanone
CID 93191529
1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
CID 82053961
1-(2-bromo-4,5-dimethylphenyl)-2-pyrrolidin-1-ylethanone
CID 83988263
1-(1,4-dimethylpyrrol-3-yl)-2-piperidin-1-ylethanone
CID 18719868
5-tert-butyl-N-(cyanomethyl)-4-methoxy-2-methylbenzamide
CID 82484656
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone (CID 82053751) is 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone is COc1cc(C)c(C(=O)CN2CCCCC2)cc1C(C)(C)C.
What is the InChIKey of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone?
The InChIKey is YPTHSQRXOVWCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14-11-18(22-5)16(19(2,3)4)12-15(14)17(21)13-20-9-7-6-8-10-20/h11-12H,6-10,13H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone?
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone has a molecular weight of 303.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 82053751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).