ethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine

C61H94N6O2 — CID 158198154

IUPACethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine
SMILESCC.CC(C)CC1CCN(c2ccc(C(C)C)nn2)CC1.CC(C)Oc1ccc(-c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(N2CCN(C(C)C)CC2)nc1.Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H22O.C16H27N3.C15H25N3.C10H14O.C2H6/c1-13(2)15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-14(3)4;1-12(2)11-14-7-9-19(10-8-14)16-6-5-15(13(3)4)17-18-16;1-12(2)14-5-6-15(16-11-14)18-9-7-17(8-10-18)13(3)4;1-8(2)11-10-6-4-9(3)5-7-10;1-2/h5-14H,1-4H3;5-6,12-14H,7-11H2,1-4H3;5-6,11-13H,7-10H2,1-4H3;4-8H,1-3H3;1-2H3
InChIKeyGAPDZIVYLLIFEV-UHFFFAOYSA-N
MW943.46 g/mol
LogP15.67
Rot. Bonds13

About ethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine

ethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine (PubChem CID 158198154) has the molecular formula C61H94N6O2 and a molecular weight of 943.46 g/mol. Its IUPAC name is ethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine
PubChem CID158198154
Molecular FormulaC61H94N6O2
Molecular Weight943.46 g/mol
Exact Mass942.74
IUPAC Nameethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine
SMILESCC.CC(C)CC1CCN(c2ccc(C(C)C)nn2)CC1.CC(C)Oc1ccc(-c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(N2CCN(C(C)C)CC2)nc1.Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H22O.C16H27N3.C15H25N3.C10H14O.C2H6/c1-13(2)15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-14(3)4;1-12(2)11-14-7-9-19(10-8-14)16-6-5-15(13(3)4)17-18-16;1-12(2)14-5-6-15(16-11-14)18-9-7-17(8-10-18)13(3)4;1-8(2)11-10-6-4-9(3)5-7-10;1-2/h5-14H,1-4H3;5-6,12-14H,7-11H2,1-4H3;5-6,11-13H,7-10H2,1-4H3;4-8H,1-3H3;1-2H3
InChIKeyGAPDZIVYLLIFEV-UHFFFAOYSA-N
XLogP15.67
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.46
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[4-[(2-Methyl-3-pyridinyl)methoxy]phenyl]-2-pyridinyl]piperazine
CID 137659287
3-(4-Methoxyphenyl)-4,5-dimethyl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine
CID 59191618
2-(Oxan-4-yloxy)-5-[2-[(6-piperidin-4-ylpyridazin-3-yl)amino]-4-pyridinyl]benzonitrile
CID 71295119
2-(Oxan-4-yloxy)-5-[2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]-4-pyridinyl]benzonitrile
CID 71295178
6-(4-Methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 71453303
6-(3-Methoxyphenyl)-4-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
CID 71462197
2-Methyl-6-(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44223356
7-[3-(4-Methoxyphenyl)piperidin-1-yl]-5-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 137659580
6-[5,6-Di(benzyloxyphenyl)-1,2,4-triazin-3-yl]-2,2'-bipyridine
CID 129651366
1-Benzyl-6-[(4-methoxyphenyl)methyl]-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5,7-dihydropyrrolo[3,4-d]pyridazine
CID 59240535
3-[2-Fluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 118407922
3-[2-Fluoro-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 118407944

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine?
The IUPAC name of ethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine (CID 158198154) is ethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine.
What is the SMILES notation for ethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine?
The canonical SMILES for ethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine is CC.CC(C)CC1CCN(c2ccc(C(C)C)nn2)CC1.CC(C)Oc1ccc(-c2ccc(C(C)C)cc2)cc1.CC(C)c1ccc(N2CCN(C(C)C)CC2)nc1.Cc1ccc(OC(C)C)cc1.
What is the InChIKey of ethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine?
The InChIKey is GAPDZIVYLLIFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O.C16H27N3.C15H25N3.C10H14O.C2H6/c1-13(2)15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-14(3)4;1-12(2)11-14-7-9-19(10-8-14)16-6-5-15(13(3)4)17-18-16;1-12(2)14-5-6-15(16-11-14)18-9-7-17(8-10-18)13(3)4;1-8(2)11-10-6-4-9(3)5-7-10;1-2/h5-14H,1-4H3;5-6,12-14H,7-11H2,1-4H3;5-6,11-13H,7-10H2,1-4H3;4-8H,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine?
ethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine has a molecular weight of 943.46 g/mol, XLogP of 15.67, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-propan-2-yloxybenzene;3-[4-(2-methylpropyl)piperidin-1-yl]-6-propan-2-ylpyridazine;1-propan-2-yl-4-(4-propan-2-yloxyphenyl)benzene;1-propan-2-yl-4-(5-propan-2-yl-2-pyridinyl)piperazine is sourced from PubChem (CID 158198154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).