bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine)

C80H162N6 — CID 162177528

IUPACbis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine)
SMILESCC(C)(C)C1=CCN(C(C)(C)C)CC1.CC(C)(C)C1=CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC1CC(C(C)(C)C)CCN1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/2C14H29N.2C13H27N.2C13H25N/c2*1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;4*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h2*11-12H,8-10H2,1-7H3;2*11H,7-10H2,1-6H3;2*7H,8-10H2,1-6H3
InChIKeyZOOUODSRPWPQHH-UHFFFAOYSA-N
MW1208.22 g/mol
LogP21.88
Rot. Bonds

About bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine)

bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine) (PubChem CID 162177528) has the molecular formula C80H162N6 and a molecular weight of 1208.22 g/mol. Its IUPAC name is bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine).

Molecular Properties

Compound Namebis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine)
PubChem CID162177528
Molecular FormulaC80H162N6
Molecular Weight1208.22 g/mol
Exact Mass1207.29
IUPAC Namebis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine)
SMILESCC(C)(C)C1=CCN(C(C)(C)C)CC1.CC(C)(C)C1=CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC1CC(C(C)(C)C)CCN1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/2C14H29N.2C13H27N.2C13H25N/c2*1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;4*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h2*11-12H,8-10H2,1-7H3;2*11H,7-10H2,1-6H3;2*7H,8-10H2,1-6H3
InChIKeyZOOUODSRPWPQHH-UHFFFAOYSA-N
XLogP21.88
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001208.22
LogP ≤ 521.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine)?
The IUPAC name of bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine) (CID 162177528) is bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine).
What is the SMILES notation for bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine)?
The canonical SMILES for bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine) is CC(C)(C)C1=CCN(C(C)(C)C)CC1.CC(C)(C)C1=CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)C1CCN(C(C)(C)C)CC1.CC1CC(C(C)(C)C)CCN1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C.
What is the InChIKey of bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine)?
The InChIKey is ZOOUODSRPWPQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H29N.2C13H27N.2C13H25N/c2*1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;4*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6/h2*11-12H,8-10H2,1-7H3;2*11H,7-10H2,1-6H3;2*7H,8-10H2,1-6H3.
What are the key properties of bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine)?
bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine) has a molecular weight of 1208.22 g/mol, XLogP of 21.88, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine) is sourced from PubChem (CID 162177528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).