4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol

C116H183ClN10O10S — CID 160806237

IUPAC4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol
SMILESCC(C)(C)c1ccc(OC2CCC2)nc1.CC(C)(C)c1ccc(OCCCS(C)(=O)=O)nc1.CC(C)(C)c1cccc(N2CCN(CCO)CC2)c1.CN1CCC(COc2ccc(C(C)(C)C)cn2)CC1.CN1CCC(COc2cccc(C(C)(C)C)c2)CC1.CN1CCCC(COc2cccc(C(C)(C)C)c2)C1.COCCN(C)c1ccc(C(C)(C)C)cn1.COc1cc(C(C)(C)C)ccc1Cl
InChIInChI=1S/2C17H27NO.2C16H26N2O.C13H22N2O.C13H21NO3S.C13H19NO.C11H15ClO/c1-17(2,3)15-8-5-9-16(11-15)19-13-14-7-6-10-18(4)12-14;1-17(2,3)15-6-5-7-16(12-15)19-13-14-8-10-18(4)11-9-14;1-16(2,3)14-5-6-15(17-11-14)19-12-13-7-9-18(4)10-8-13;1-16(2,3)14-5-4-6-15(13-14)18-9-7-17(8-10-18)11-12-19;1-13(2,3)11-6-7-12(14-10-11)15(4)8-9-16-5;1-13(2,3)11-6-7-12(14-10-11)17-8-5-9-18(4,15)16;1-13(2,3)10-7-8-12(14-9-10)15-11-5-4-6-11;1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5,8-9,11,14H,6-7,10,12-13H2,1-4H3;5-7,12,14H,8-11,13H2,1-4H3;5-6,11,13H,7-10,12H2,1-4H3;4-6,13,19H,7-12H2,1-3H3;6-7,10H,8-9H2,1-5H3;6-7,10H,5,8-9H2,1-4H3;7-9,11H,4-6H2,1-3H3;5-7H,1-4H3
InChIKeySDSLTNDXLZAWRL-UHFFFAOYSA-N
MW1945.32 g/mol
LogP24.22
Rot. Bonds24

About 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol

4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol (PubChem CID 160806237) has the molecular formula C116H183ClN10O10S and a molecular weight of 1945.32 g/mol. Its IUPAC name is 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol
PubChem CID160806237
Molecular FormulaC116H183ClN10O10S
Molecular Weight1945.32 g/mol
Exact Mass1943.35
IUPAC Name4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol
SMILESCC(C)(C)c1ccc(OC2CCC2)nc1.CC(C)(C)c1ccc(OCCCS(C)(=O)=O)nc1.CC(C)(C)c1cccc(N2CCN(CCO)CC2)c1.CN1CCC(COc2ccc(C(C)(C)C)cn2)CC1.CN1CCC(COc2cccc(C(C)(C)C)c2)CC1.CN1CCCC(COc2cccc(C(C)(C)C)c2)C1.COCCN(C)c1ccc(C(C)(C)C)cn1.COc1cc(C(C)(C)C)ccc1Cl
InChIInChI=1S/2C17H27NO.2C16H26N2O.C13H22N2O.C13H21NO3S.C13H19NO.C11H15ClO/c1-17(2,3)15-8-5-9-16(11-15)19-13-14-7-6-10-18(4)12-14;1-17(2,3)15-6-5-7-16(12-15)19-13-14-8-10-18(4)11-9-14;1-16(2,3)14-5-6-15(17-11-14)19-12-13-7-9-18(4)10-8-13;1-16(2,3)14-5-4-6-15(13-14)18-9-7-17(8-10-18)11-12-19;1-13(2,3)11-6-7-12(14-10-11)15(4)8-9-16-5;1-13(2,3)11-6-7-12(14-10-11)17-8-5-9-18(4,15)16;1-13(2,3)10-7-8-12(14-9-10)15-11-5-4-6-11;1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5,8-9,11,14H,6-7,10,12-13H2,1-4H3;5-7,12,14H,8-11,13H2,1-4H3;5-6,11,13H,7-10,12H2,1-4H3;4-6,13,19H,7-12H2,1-3H3;6-7,10H,8-9H2,1-5H3;6-7,10H,5,8-9H2,1-4H3;7-9,11H,4-6H2,1-3H3;5-7H,1-4H3
InChIKeySDSLTNDXLZAWRL-UHFFFAOYSA-N
XLogP24.22
TPSA189.98 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001945.32
LogP ≤ 524.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol with MolForge

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Related Compounds

5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol
CID 158326558
2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine
CID 158382924
5-tert-butyl-2-(2-methoxyethoxy)pyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine
CID 159237123
2-[(5-Tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine
CID 159292490
2-[(5-tert-butyl-2-chlorophenoxy)methyl]pyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-(trideuteriomethoxy)pyridine
CID 160403586
4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;1-[2-(4-tert-butylphenoxy)ethyl]pyrrolidin-2-one;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 161394749
2-[(5-Tert-butyl-2-chlorophenoxy)methyl]pyridine;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-2-methylpropan-1-ol;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol;5-tert-butyl-2-propan-2-yloxypyridine;5-tert-butyl-2-(trideuteriomethoxy)pyridine
CID 161829610
4-tert-butyl-1-chloro-2-methoxybenzene;4-tert-butyl-1-chloro-2-(3-methylsulfonylpropoxy)benzene;5-tert-butyl-2-cyclobutyloxypyridine;1-tert-butyl-4-(2-methoxyethoxy)benzene;5-tert-butyl-2-(oxolan-3-yloxy)pyridine;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;1-(4-tert-butylphenoxy)-2-methylpropan-2-ol;1-[2-[(5-tert-butyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one;4-(5-tert-butyl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 161918779

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol?
The IUPAC name of 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol (CID 160806237) is 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol is CC(C)(C)c1ccc(OC2CCC2)nc1.CC(C)(C)c1ccc(OCCCS(C)(=O)=O)nc1.CC(C)(C)c1cccc(N2CCN(CCO)CC2)c1.CN1CCC(COc2ccc(C(C)(C)C)cn2)CC1.CN1CCC(COc2cccc(C(C)(C)C)c2)CC1.CN1CCCC(COc2cccc(C(C)(C)C)c2)C1.COCCN(C)c1ccc(C(C)(C)C)cn1.COc1cc(C(C)(C)C)ccc1Cl.
What is the InChIKey of 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol?
The InChIKey is SDSLTNDXLZAWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H27NO.2C16H26N2O.C13H22N2O.C13H21NO3S.C13H19NO.C11H15ClO/c1-17(2,3)15-8-5-9-16(11-15)19-13-14-7-6-10-18(4)12-14;1-17(2,3)15-6-5-7-16(12-15)19-13-14-8-10-18(4)11-9-14;1-16(2,3)14-5-6-15(17-11-14)19-12-13-7-9-18(4)10-8-13;1-16(2,3)14-5-4-6-15(13-14)18-9-7-17(8-10-18)11-12-19;1-13(2,3)11-6-7-12(14-10-11)15(4)8-9-16-5;1-13(2,3)11-6-7-12(14-10-11)17-8-5-9-18(4,15)16;1-13(2,3)10-7-8-12(14-9-10)15-11-5-4-6-11;1-11(2,3)8-5-6-9(12)10(7-8)13-4/h5,8-9,11,14H,6-7,10,12-13H2,1-4H3;5-7,12,14H,8-11,13H2,1-4H3;5-6,11,13H,7-10,12H2,1-4H3;4-6,13,19H,7-12H2,1-3H3;6-7,10H,8-9H2,1-5H3;6-7,10H,5,8-9H2,1-4H3;7-9,11H,4-6H2,1-3H3;5-7H,1-4H3.
What are the key properties of 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol?
4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol has a molecular weight of 1945.32 g/mol, XLogP of 24.22, 24 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-chloro-2-methoxybenzene;5-tert-butyl-2-cyclobutyloxypyridine;5-tert-butyl-N-(2-methoxyethyl)-N-methylpyridin-2-amine;5-tert-butyl-2-[(1-methylpiperidin-4-yl)methoxy]pyridine;5-tert-butyl-2-(3-methylsulfonylpropoxy)pyridine;3-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;4-[(3-tert-butylphenoxy)methyl]-1-methylpiperidine;2-[4-(3-tert-butylphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 160806237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).