1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine

C202H351N15 — CID 165086898

IUPAC1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine
SMILESCC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C2CCC(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(C2CCC(C(C)(C)C)CC2)nc1.CC(C)(C)c1ccc(N2CCN(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)ccn1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cncc(C(C)(C)C)c1
InChIInChI=1S/C20H32.C19H31N.C18H30N2.C17H29N3.2C14H22.C13H27N.C13H21N.2C13H27N.C12H26N2.3C12H19N/c1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6;1-18(2,3)15-9-7-14(8-10-15)17-12-11-16(13-20-17)19(4,5)6;1-17(2,3)15-7-9-16(10-8-15)19-11-13-20(14-12-19)18(4,5)6;1-16(2,3)14-7-8-15(18-13-14)19-9-11-20(12-10-19)17(4,5)6;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;2*1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-9(2)10-6-11(8-13-7-10)12(3,4)5;1-9(2)11-8-10(6-7-13-11)12(3,4)5;1-9(2)10-7-6-8-11(13-10)12(3,4)5/h7-8,11-12,16,18H,9-10,13-14H2,1-6H3;11-15H,7-10H2,1-6H3;7-10H,11-14H2,1-6H3;7-8,13H,9-12H2,1-6H3;2*7-10H,1-6H3;11H,7-10H2,1-6H3;7-9H,1-6H3;2*11H,7-10H2,1-6H3;7-10H2,1-6H3;3*6-9H,1-5H3
InChIKeyWAYZCOMDZCPMQI-UHFFFAOYSA-N
MW2990.13 g/mol
LogP54.78
Rot. Bonds7

About 1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine

1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine (PubChem CID 165086898) has the molecular formula C202H351N15 and a molecular weight of 2990.13 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine.

Molecular Properties

Compound Name1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine
PubChem CID165086898
Molecular FormulaC202H351N15
Molecular Weight2990.13 g/mol
Exact Mass2987.79
IUPAC Name1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine
SMILESCC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C2CCC(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(C2CCC(C(C)(C)C)CC2)nc1.CC(C)(C)c1ccc(N2CCN(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)ccn1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cncc(C(C)(C)C)c1
InChIInChI=1S/C20H32.C19H31N.C18H30N2.C17H29N3.2C14H22.C13H27N.C13H21N.2C13H27N.C12H26N2.3C12H19N/c1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6;1-18(2,3)15-9-7-14(8-10-15)17-12-11-16(13-20-17)19(4,5)6;1-17(2,3)15-7-9-16(10-8-15)19-11-13-20(14-12-19)18(4,5)6;1-16(2,3)14-7-8-15(18-13-14)19-9-11-20(12-10-19)17(4,5)6;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;2*1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-9(2)10-6-11(8-13-7-10)12(3,4)5;1-9(2)11-8-10(6-7-13-11)12(3,4)5;1-9(2)10-7-6-8-11(13-10)12(3,4)5/h7-8,11-12,16,18H,9-10,13-14H2,1-6H3;11-15H,7-10H2,1-6H3;7-10H,11-14H2,1-6H3;7-8,13H,9-12H2,1-6H3;2*7-10H,1-6H3;11H,7-10H2,1-6H3;7-9H,1-6H3;2*11H,7-10H2,1-6H3;7-10H2,1-6H3;3*6-9H,1-5H3
InChIKeyWAYZCOMDZCPMQI-UHFFFAOYSA-N
XLogP54.78
TPSA106.50 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002990.13
LogP ≤ 554.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine?
The IUPAC name of 1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine (CID 165086898) is 1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine.
What is the SMILES notation for 1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine?
The canonical SMILES for 1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine is CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCCN(C(C)(C)C)C1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)c1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C2CCC(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(C2CCC(C(C)(C)C)CC2)nc1.CC(C)(C)c1ccc(N2CCN(C(C)(C)C)CC2)cc1.CC(C)(C)c1ccc(N2CCN(C(C)(C)C)CC2)nc1.CC(C)(C)c1cccc(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)ccn1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1cncc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine?
The InChIKey is WAYZCOMDZCPMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32.C19H31N.C18H30N2.C17H29N3.2C14H22.C13H27N.C13H21N.2C13H27N.C12H26N2.3C12H19N/c1-19(2,3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)20(4,5)6;1-18(2,3)15-9-7-14(8-10-15)17-12-11-16(13-20-17)19(4,5)6;1-17(2,3)15-7-9-16(10-8-15)19-11-13-20(14-12-19)18(4,5)6;1-16(2,3)14-7-8-15(18-13-14)19-9-11-20(12-10-19)17(4,5)6;1-13(2,3)11-7-9-12(10-8-11)14(4,5)6;1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;2*1-12(2,3)11-8-7-9-14(10-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6;1-9(2)10-6-11(8-13-7-10)12(3,4)5;1-9(2)11-8-10(6-7-13-11)12(3,4)5;1-9(2)10-7-6-8-11(13-10)12(3,4)5/h7-8,11-12,16,18H,9-10,13-14H2,1-6H3;11-15H,7-10H2,1-6H3;7-10H,11-14H2,1-6H3;7-8,13H,9-12H2,1-6H3;2*7-10H,1-6H3;11H,7-10H2,1-6H3;7-9H,1-6H3;2*11H,7-10H2,1-6H3;7-10H2,1-6H3;3*6-9H,1-5H3.
What are the key properties of 1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine?
1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine has a molecular weight of 2990.13 g/mol, XLogP of 54.78, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine is sourced from PubChem (CID 165086898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).