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

C20H40N2 — CID 158264984

IUPAC4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-methylpiperidine
SMILESCN1CC=C(C(C)(C)C)CC1.CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C10H19N/c2*1-10(2,3)9-5-7-11(4)8-6-9/h9H,5-8H2,1-4H3;5H,6-8H2,1-4H3
InChIKeyGIICWKLLGFYQDI-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.67
Rot. Bonds

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

4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-methylpiperidine (PubChem CID 158264984) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is 4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-methylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-methylpiperidine
PubChem CID158264984
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-methylpiperidine
SMILESCN1CC=C(C(C)(C)C)CC1.CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C10H19N/c2*1-10(2,3)9-5-7-11(4)8-6-9/h9H,5-8H2,1-4H3;5H,6-8H2,1-4H3
InChIKeyGIICWKLLGFYQDI-UHFFFAOYSA-N
XLogP4.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6Z,10S,11R,19Z,23R)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene
CID 10628969
Halicyclamine B
CID 10628970
4,6,6,7-Tetramethyl-1-azabicyclo[3.3.1]non-3-ene
CID 154573963
1-(Prop-2-en-1-yl)-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
CID 3906191
1-Methyl-1-[1-methyl-3-(2,6,6-trimethyl-2-cyclohexenyl)-2(trans)-propenyl]piperidinium iodide
CID 21502460
1-[1-Methyl-3-(2,6,6-trimethyl-2-cyclohexenyl)-2(trans)-propenyl]piperidine
CID 21502519
1-[4-(2,6,6-Trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]piperidine
CID 53740126
1-[3-(4-Tert-butylcyclohexyl)-2-methylprop-2-enyl]-3-methylpiperidine
CID 57040488
1-[2-Methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine
CID 57071278
1-[3-(4-Tert-butylcyclohexyl)-2-methylprop-2-enyl]piperidine
CID 57088319
3-Methyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine
CID 57239417
3,5-Dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine
CID 57295016

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-methylpiperidine?
The IUPAC name of 4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-methylpiperidine (CID 158264984) is 4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-methylpiperidine.
What is the SMILES notation for 4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-methylpiperidine?
The canonical SMILES for 4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-methylpiperidine is CN1CC=C(C(C)(C)C)CC1.CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-methylpiperidine?
The InChIKey is GIICWKLLGFYQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C10H19N/c2*1-10(2,3)9-5-7-11(4)8-6-9/h9H,5-8H2,1-4H3;5H,6-8H2,1-4H3.
What are the key properties of 4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-methylpiperidine?
4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-methylpiperidine has a molecular weight of 308.55 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-methylpiperidine is sourced from PubChem (CID 158264984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).