1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine

C21H42N2 — CID 158169610

IUPAC1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1C
InChIInChI=1S/C11H23N.C10H19N/c1-9-6-7-12(8-10(9)2)11(3,4)5;1-9-5-7-11(8-6-9)10(2,3)4/h9-10H,6-8H2,1-5H3;5H,6-8H2,1-4H3
InChIKeyFXHBOWARYFJDKM-UHFFFAOYSA-N
MW322.58 g/mol
LogP5.20
Rot. Bonds

About 1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine

1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 158169610) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID158169610
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1C
InChIInChI=1S/C11H23N.C10H19N/c1-9-6-7-12(8-10(9)2)11(3,4)5;1-9-5-7-11(8-6-9)10(2,3)4/h9-10H,6-8H2,1-5H3;5H,6-8H2,1-4H3
InChIKeyFXHBOWARYFJDKM-UHFFFAOYSA-N
XLogP5.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine (CID 158169610) is 1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine is CC1=CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1C.
What is the InChIKey of 1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is FXHBOWARYFJDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C10H19N/c1-9-6-7-12(8-10(9)2)11(3,4)5;1-9-5-7-11(8-6-9)10(2,3)4/h9-10H,6-8H2,1-5H3;5H,6-8H2,1-4H3.
What are the key properties of 1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine?
1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 322.58 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,4-dimethylpiperidine;1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 158169610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).