4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine

C40H69N — CID 134370008

IUPAC4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine
SMILESCc1c(C(C)(C)C)cc(CC2CCC(CC3CCC(CC4CC(C)(C)N(C)C(C)(C)C4)CC3)CC2)cc1C(C)(C)C
InChIInChI=1S/C40H69N/c1-28-35(37(2,3)4)24-33(25-36(28)38(5,6)7)22-31-17-13-29(14-18-31)21-30-15-19-32(20-16-30)23-34-26-39(8,9)41(12)40(10,11)27-34/h24-25,29-32,34H,13-23,26-27H2,1-12H3
InChIKeyMOADKDQQAHKELC-UHFFFAOYSA-N
MW564.00 g/mol
LogP11.42
Rot. Bonds6

About 4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine

4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine (PubChem CID 134370008) has the molecular formula C40H69N and a molecular weight of 564.00 g/mol. Its IUPAC name is 4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine
PubChem CID134370008
Molecular FormulaC40H69N
Molecular Weight564.00 g/mol
Exact Mass563.54
IUPAC Name4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine
SMILESCc1c(C(C)(C)C)cc(CC2CCC(CC3CCC(CC4CC(C)(C)N(C)C(C)(C)C4)CC3)CC2)cc1C(C)(C)C
InChIInChI=1S/C40H69N/c1-28-35(37(2,3)4)24-33(25-36(28)38(5,6)7)22-31-17-13-29(14-18-31)21-30-15-19-32(20-16-30)23-34-26-39(8,9)41(12)40(10,11)27-34/h24-25,29-32,34H,13-23,26-27H2,1-12H3
InChIKeyMOADKDQQAHKELC-UHFFFAOYSA-N
XLogP11.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.00
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine?
The IUPAC name of 4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine (CID 134370008) is 4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine.
What is the SMILES notation for 4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine?
The canonical SMILES for 4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine is Cc1c(C(C)(C)C)cc(CC2CCC(CC3CCC(CC4CC(C)(C)N(C)C(C)(C)C4)CC3)CC2)cc1C(C)(C)C.
What is the InChIKey of 4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine?
The InChIKey is MOADKDQQAHKELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H69N/c1-28-35(37(2,3)4)24-33(25-36(28)38(5,6)7)22-31-17-13-29(14-18-31)21-30-15-19-32(20-16-30)23-34-26-39(8,9)41(12)40(10,11)27-34/h24-25,29-32,34H,13-23,26-27H2,1-12H3.
What are the key properties of 4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine?
4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine has a molecular weight of 564.00 g/mol, XLogP of 11.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-[(3,5-ditert-butyl-4-methylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]-1,2,2,6,6-pentamethylpiperidine is sourced from PubChem (CID 134370008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).