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

C55H114N6 — CID 159094780

IUPAC1,4-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
SMILESCC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCC(C)(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N.2C11H23N.C11H21N.C10H22N2/c1-10(2)12(5)6-8-13(9-7-12)11(3)4;4*1-9(2)11-5-7-12(8-6-11)10(3)4/h10-11H,6-9H2,1-5H3;2*9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyKCNJJJRXLNOLEJ-UHFFFAOYSA-N
MW859.56 g/mol
LogP12.78
Rot. Bonds10

About 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

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 (PubChem CID 159094780) has the molecular formula C55H114N6 and a molecular weight of 859.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,4-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
PubChem CID159094780
Molecular FormulaC55H114N6
Molecular Weight859.56 g/mol
Exact Mass858.91
IUPAC Name1,4-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
SMILESCC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCC(C)(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N.2C11H23N.C11H21N.C10H22N2/c1-10(2)12(5)6-8-13(9-7-12)11(3)4;4*1-9(2)11-5-7-12(8-6-11)10(3)4/h10-11H,6-9H2,1-5H3;2*9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-10H,5-8H2,1-4H3
InChIKeyKCNJJJRXLNOLEJ-UHFFFAOYSA-N
XLogP12.78
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.56
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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
bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;1,4-dimethylpiperidine;methane;1-methylpiperidin-4-ide;tungsten
CID 157495430
methane;1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine
CID 157598202
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
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,5-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine
CID 158143139
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butylpiperazine;4-tert-butylpiperidine;4-tert-butyl-1,2,3,6-tetrahydropyridine
CID 158808727
1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine
CID 158834320
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
bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane
CID 159263145
bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane;methane
CID 159686471

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1=CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)N1CCC(C)(C(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is KCNJJJRXLNOLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.2C11H23N.C11H21N.C10H22N2/c1-10(2)12(5)6-8-13(9-7-12)11(3)4;4*1-9(2)11-5-7-12(8-6-11)10(3)4/h10-11H,6-9H2,1-5H3;2*9-11H,5-8H2,1-4H3;5,9-10H,6-8H2,1-4H3;9-10H,5-8H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 859.56 g/mol, XLogP of 12.78, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159094780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).