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

C149H298N12 — CID 161368754

IUPACbis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-6-methyl-3,6-dihydro-2H-pyridine);tris(1,4-ditert-butyl-2-methylpiperidine);1,4-ditert-butylpiperazine;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)N1CCN(C(C)(C)C)CC1.CC1C=C(C(C)(C)C)CCN1C(C)(C)C.CC1C=C(C(C)(C)C)CCN1C(C)(C)C.CC1CC(C(C)(C)C)=CCN1C(C)(C)C.CC1CC(C(C)(C)C)=CCN1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/3C14H29N.4C14H27N.C13H27N.2C13H25N.C12H26N2/c7*1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;3*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h3*11-12H,8-10H2,1-7H3;2*10-11H,8-9H2,1-7H3;2*8,11H,9-10H2,1-7H3;11H,7-10H2,1-6H3;2*7H,8-10H2,1-6H3;7-10H2,1-6H3
InChIKeyVQEJVQNTKMHMSX-UHFFFAOYSA-N
MW2258.11 g/mol
LogP39.87
Rot. Bonds

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

bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-6-methyl-3,6-dihydro-2H-pyridine);tris(1,4-ditert-butyl-2-methylpiperidine);1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine (PubChem CID 161368754) has the molecular formula C149H298N12 and a molecular weight of 2258.11 g/mol. Its IUPAC name is bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-6-methyl-3,6-dihydro-2H-pyridine);tris(1,4-ditert-butyl-2-methylpiperidine);1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine.

Molecular Properties

Compound Namebis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-6-methyl-3,6-dihydro-2H-pyridine);tris(1,4-ditert-butyl-2-methylpiperidine);1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine
PubChem CID161368754
Molecular FormulaC149H298N12
Molecular Weight2258.11 g/mol
Exact Mass2256.37
IUPAC Namebis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-6-methyl-3,6-dihydro-2H-pyridine);tris(1,4-ditert-butyl-2-methylpiperidine);1,4-ditert-butylpiperazine;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)N1CCN(C(C)(C)C)CC1.CC1C=C(C(C)(C)C)CCN1C(C)(C)C.CC1C=C(C(C)(C)C)CCN1C(C)(C)C.CC1CC(C(C)(C)C)=CCN1C(C)(C)C.CC1CC(C(C)(C)C)=CCN1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C
InChIInChI=1S/3C14H29N.4C14H27N.C13H27N.2C13H25N.C12H26N2/c7*1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;3*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h3*11-12H,8-10H2,1-7H3;2*10-11H,8-9H2,1-7H3;2*8,11H,9-10H2,1-7H3;11H,7-10H2,1-6H3;2*7H,8-10H2,1-6H3;7-10H2,1-6H3
InChIKeyVQEJVQNTKMHMSX-UHFFFAOYSA-N
XLogP39.87
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002258.11
LogP ≤ 539.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-6-methyl-3,6-dihydro-2H-pyridine);tris(1,4-ditert-butyl-2-methylpiperidine);1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

1,1-dimethyl-4-propan-2-ylpiperidin-1-ium;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-propan-2-yl-4-(1,1,1-trifluoropropan-2-yl)piperazine
CID 159205583
CID 157782583
CID 157782583
CID 158063597
CID 158063597
(2S)-1,2,4-trimethyl-3,6-dihydro-2H-pyridine;(2R)-1,2,4-trimethyl-3,6-dihydro-2H-pyridine;(6S)-1,4,6-trimethyl-3,6-dihydro-2H-pyridine;(6R)-1,4,6-trimethyl-3,6-dihydro-2H-pyridine;(2S,4S)-1,2,4-trimethylpiperidine;(2S,4R)-1,2,4-trimethylpiperidine;(2R,4S)-1,2,4-trimethylpiperidine;(2R,4R)-1,2,4-trimethylpiperidine;(3S,4S)-1,3,4-trimethylpiperidine;(3R,4S)-1,3,4-trimethylpiperidine;(3S,4R)-1,3,4-trimethylpiperidine;(3R,4R)-1,3,4-trimethylpiperidine
CID 158083407
2-tert-butyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-propan-2-yl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butyl-4-propan-2-ylpiperidine;4-tert-butyl-1-propan-2-ylpiperidine;ethane
CID 158836911
1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);4-methyl-1,4-di(propan-2-yl)piperidine
CID 159094780
tetralithium;1-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]-4-methylpiperazine;1-[(6Z)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]-4-methylpiperazine;1-[(6E)-6-methanidyl-2-methyldodeca-1,6-dien-3-yl]-4-methylpiperazine;1-(7-methanidyl-2-methyl-6-methylideneundec-1-en-3-yl)-4-methylpiperazine;1-methyl-4-(2-methyl-6-methylideneocta-1,7-dien-3-yl)piperazine
CID 159250781
4-(azetidin-1-yl)-1-tert-butylpiperidine;4-tert-butyl-1-cyclobutyl-3,6-dihydro-2H-pyridine;4-tert-butyl-1-cyclobutyl-2-methylpiperazine;bis(1-tert-butyl-4-cyclobutylpiperazine);1-tert-butyl-4-cyclobutylpiperidine;4-tert-butyl-1-cyclobutylpiperidine;1-tert-butyl-4-(3-fluoro-3-methylcyclobutyl)piperazine;1-tert-butyl-4-(1-methylcyclobutyl)piperazine;bis(1-tert-butyl-4-(3-methylcyclobutyl)piperazine);methane
CID 159551892
5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine;(6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine;(6S)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1,2-dimethylpiperidine;5-tert-butyl-1-ethyl-6-methyl-3,6-dihydro-2H-pyridine;(6S)-5-tert-butyl-1-ethyl-6-methyl-3,6-dihydro-2H-pyridine;(6R)-5-tert-butyl-1-ethyl-6-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-ethyl-2-methylpiperidine;3-tert-butyl-2-methylpiperidine;5-tert-butyl-6-methyl-1,2,3,6-tetrahydropyridine;(6S)-5-tert-butyl-6-methyl-1,2,3,6-tetrahydropyridine;(6R)-5-tert-butyl-6-methyl-1,2,3,6-tetrahydropyridine;(2R,3R)-2,3-dimethylpiperidine;(2S,3R)-2,3-dimethylpiperidine;(2R,3S)-2,3-dimethylpiperidine;(2S,3S)-2,3-dimethylpiperidine;ethane;(2S,3S)-1,2,3-trimethylpiperidine;(2R,3S)-1,2,3-trimethylpiperidine;(2S,3R)-1,2,3-trimethylpiperidine;(2R,3R)-1,2,3-trimethylpiperidine
CID 161139507
1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);ethane;4-methyl-1,4-di(propan-2-yl)piperidine
CID 161845701
1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-6,6-dimethyl-2,5-dihydropyridine;1,4-ditert-butyl-2,2-dimethylpiperidine;1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine;1,4-ditert-butyl-2-methylpiperidine;1,4-ditert-butylpiperidine
CID 162059599
bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methylpiperidine);bis(1,4-ditert-butylpiperidine)
CID 162177528

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-methyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-6-methyl-3,6-dihydro-2H-pyridine);tris(1,4-ditert-butyl-2-methylpiperidine);1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?
The IUPAC name of bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-6-methyl-3,6-dihydro-2H-pyridine);tris(1,4-ditert-butyl-2-methylpiperidine);1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine (CID 161368754) is bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-6-methyl-3,6-dihydro-2H-pyridine);tris(1,4-ditert-butyl-2-methylpiperidine);1,4-ditert-butylpiperazine;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-methyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-6-methyl-3,6-dihydro-2H-pyridine);tris(1,4-ditert-butyl-2-methylpiperidine);1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?
The canonical SMILES for bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-6-methyl-3,6-dihydro-2H-pyridine);tris(1,4-ditert-butyl-2-methylpiperidine);1,4-ditert-butylpiperazine;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)N1CCN(C(C)(C)C)CC1.CC1C=C(C(C)(C)C)CCN1C(C)(C)C.CC1C=C(C(C)(C)C)CCN1C(C)(C)C.CC1CC(C(C)(C)C)=CCN1C(C)(C)C.CC1CC(C(C)(C)C)=CCN1C(C)(C)C.CC1CC(C(C)(C)C)CCN1C(C)(C)C.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-methyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-6-methyl-3,6-dihydro-2H-pyridine);tris(1,4-ditert-butyl-2-methylpiperidine);1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?
The InChIKey is VQEJVQNTKMHMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H29N.4C14H27N.C13H27N.2C13H25N.C12H26N2/c7*1-11-10-12(13(2,3)4)8-9-15(11)14(5,6)7;3*1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h3*11-12H,8-10H2,1-7H3;2*10-11H,8-9H2,1-7H3;2*8,11H,9-10H2,1-7H3;11H,7-10H2,1-6H3;2*7H,8-10H2,1-6H3;7-10H2,1-6H3.
What are the key properties of bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-6-methyl-3,6-dihydro-2H-pyridine);tris(1,4-ditert-butyl-2-methylpiperidine);1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?
bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-2-methyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-6-methyl-3,6-dihydro-2H-pyridine);tris(1,4-ditert-butyl-2-methylpiperidine);1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine has a molecular weight of 2258.11 g/mol, XLogP of 39.87, 0 rotatable bonds, 0 hydrogen bond donors, and 12 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-methyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butyl-6-methyl-3,6-dihydro-2H-pyridine);tris(1,4-ditert-butyl-2-methylpiperidine);1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine is sourced from PubChem (CID 161368754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).