1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone

C30H46N2O4Si — CID 69453388

IUPAC1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(C2(O)CCN(CC(=O)c3cc(C)c(O[Si](C(C)C)(C(C)C)C(C)C)cc3C)CC2)cn1
InChIInChI=1S/C30H46N2O4Si/c1-20(2)37(21(3)4,22(5)6)36-28-17-23(7)26(16-24(28)8)27(33)19-32-14-12-30(34,13-15-32)25-10-11-29(35-9)31-18-25/h10-11,16-18,20-22,34H,12-15,19H2,1-9H3
InChIKeyQXKUCUSNEUXNTL-UHFFFAOYSA-N
MW526.79 g/mol
LogP6.43
Rot. Bonds10

About 1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone

1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone (PubChem CID 69453388) has the molecular formula C30H46N2O4Si and a molecular weight of 526.79 g/mol. Its IUPAC name is 1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone
PubChem CID69453388
Molecular FormulaC30H46N2O4Si
Molecular Weight526.79 g/mol
Exact Mass526.32
IUPAC Name1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone
SMILESCOc1ccc(C2(O)CCN(CC(=O)c3cc(C)c(O[Si](C(C)C)(C(C)C)C(C)C)cc3C)CC2)cn1
InChIInChI=1S/C30H46N2O4Si/c1-20(2)37(21(3)4,22(5)6)36-28-17-23(7)26(16-24(28)8)27(33)19-32-14-12-30(34,13-15-32)25-10-11-29(35-9)31-18-25/h10-11,16-18,20-22,34H,12-15,19H2,1-9H3
InChIKeyQXKUCUSNEUXNTL-UHFFFAOYSA-N
XLogP6.43
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.79
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-ethyl-4-hydroxyphenyl)-2-hydroxyethyl]-4-(6-methoxy-3-pyridinyl)piperidin-4-ol;hydrochloride
CID 69453220
1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
CID 10836668
1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193553
prop-2-enyl N-[2-[(2R)-2-ethyl-4-(6-methoxy-3-pyridinyl)-2,3-dihydropyrrole-1-carbonyl]-4-methyl-5-tri(propan-2-yl)silyloxyphenyl]carbamate
CID 167572058
2-(4-propan-2-ylpiperazin-1-yl)-1-(2,4,5-trimethylphenyl)ethanone
CID 43797246
1-[4-[(2S)-2-hydroxy-3-(4-hydroxy-4-quinolin-3-ylpiperidin-1-yl)propoxy]-3-methylphenyl]ethanone
CID 70240099
(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol
CID 99926029
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone
CID 82053751
3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171957748
2-[1-(6-methoxy-3-pyridinyl)cyclopropyl]acetamide
CID 139882127
3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957753
2-(aziridin-1-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 94685963

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone (CID 69453388) is 1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone is COc1ccc(C2(O)CCN(CC(=O)c3cc(C)c(O[Si](C(C)C)(C(C)C)C(C)C)cc3C)CC2)cn1.
What is the InChIKey of 1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone?
The InChIKey is QXKUCUSNEUXNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N2O4Si/c1-20(2)37(21(3)4,22(5)6)36-28-17-23(7)26(16-24(28)8)27(33)19-32-14-12-30(34,13-15-32)25-10-11-29(35-9)31-18-25/h10-11,16-18,20-22,34H,12-15,19H2,1-9H3.
What are the key properties of 1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone?
1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone has a molecular weight of 526.79 g/mol, XLogP of 6.43, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]-2-[4-hydroxy-4-(6-methoxy-3-pyridinyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 69453388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).