3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride

C45H70Br2ClN4- — CID 158861350

IUPAC3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride
SMILESBrc1cncc(Br)c1.C=Cc1cncc(C=C)c1.CC(C)(C)Cc1cncc(CC(C)(C)C)c1.CN1CC(CC(C)(C)C)CC(CC(C)(C)C)C1.[Cl-]
InChIInChI=1S/C16H33N.C15H25N.C9H9N.C5H3Br2N.ClH/c1-15(2,3)9-13-8-14(10-16(4,5)6)12-17(7)11-13;1-14(2,3)8-12-7-13(11-16-10-12)9-15(4,5)6;1-3-8-5-9(4-2)7-10-6-8;6-4-1-5(7)3-8-2-4;/h13-14H,8-12H2,1-7H3;7,10-11H,8-9H2,1-6H3;3-7H,1-2H2;1-3H;1H/p-1
InChIKeyDGMWBOASNRXKRR-UHFFFAOYSA-M
MW862.34 g/mol
LogP10.66
Rot. Bonds6

About 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride

3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride (PubChem CID 158861350) has the molecular formula C45H70Br2ClN4- and a molecular weight of 862.34 g/mol. Its IUPAC name is 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride.

Molecular Properties

Compound Name3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride
PubChem CID158861350
Molecular FormulaC45H70Br2ClN4-
Molecular Weight862.34 g/mol
Exact Mass859.37
IUPAC Name3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride
SMILESBrc1cncc(Br)c1.C=Cc1cncc(C=C)c1.CC(C)(C)Cc1cncc(CC(C)(C)C)c1.CN1CC(CC(C)(C)C)CC(CC(C)(C)C)C1.[Cl-]
InChIInChI=1S/C16H33N.C15H25N.C9H9N.C5H3Br2N.ClH/c1-15(2,3)9-13-8-14(10-16(4,5)6)12-17(7)11-13;1-14(2,3)8-12-7-13(11-16-10-12)9-15(4,5)6;1-3-8-5-9(4-2)7-10-6-8;6-4-1-5(7)3-8-2-4;/h13-14H,8-12H2,1-7H3;7,10-11H,8-9H2,1-6H3;3-7H,1-2H2;1-3H;1H/p-1
InChIKeyDGMWBOASNRXKRR-UHFFFAOYSA-M
XLogP10.66
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.34
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[3,5-Bis[5-(3,5-dimethylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3,5-dimethylpyridin-1-ium tribromide
CID 23729422
3',5'-Dibromo-3,5-diphenyl-[4,4']bipyridinyl
CID 57342616
3,5'-Dibromo-5,3'-diphenyl-[4,4']bipyridinyl
CID 57342618
5-Bromo-2-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]pyridine
CID 101526146
3-bromo-4-[3-bromo-5-[(E)-2-phenylethenyl]-4-pyridinyl]-5-[(E)-2-phenylethenyl]pyridine
CID 102291374
5-Bromo-2-[3,5-ditert-butyl-7-[6-[3,5-ditert-butyl-7-[6-[3,5-ditert-butyl-7-[6-(3,5-ditert-butylhepta-3,4-dien-1,6-diynyl)-3-pyridinyl]hepta-3,4-dien-1,6-diynyl]-3-pyridinyl]hepta-3,4-dien-1,6-diynyl]-3-pyridinyl]hepta-3,4-dien-1,6-diynyl]pyridine
CID 139247704
1,19,37,55-Tetrazoniapentacyclo[67.3.1.115,19.133,37.151,55]hexaheptaconta-1(72),15(76),16,18,33(75),34,36,51(74),52,54,69(73),70-dodecaene
CID 70694114
bis((Z)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-3-ylprop-2-en-1-amine);hydrate;dihydrochloride
CID 126456781
2-(5-Bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decane
CID 9817541
2-(5-Bromo-3-pyridyl)-1-azabicyclo[2.2.2]octane
CID 9881802
2-((5-Bromo-3-pyridyl)methyl)-1-azabicyclo[2.2.2]octane
CID 12988222
Tris(2-(3-bromophenyl)pyridine);gold(3+);2-phenylpyridine
CID 17836220

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride?
The IUPAC name of 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride (CID 158861350) is 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride.
What is the SMILES notation for 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride?
The canonical SMILES for 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride is Brc1cncc(Br)c1.C=Cc1cncc(C=C)c1.CC(C)(C)Cc1cncc(CC(C)(C)C)c1.CN1CC(CC(C)(C)C)CC(CC(C)(C)C)C1.[Cl-].
What is the InChIKey of 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride?
The InChIKey is DGMWBOASNRXKRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H33N.C15H25N.C9H9N.C5H3Br2N.ClH/c1-15(2,3)9-13-8-14(10-16(4,5)6)12-17(7)11-13;1-14(2,3)8-12-7-13(11-16-10-12)9-15(4,5)6;1-3-8-5-9(4-2)7-10-6-8;6-4-1-5(7)3-8-2-4;/h13-14H,8-12H2,1-7H3;7,10-11H,8-9H2,1-6H3;3-7H,1-2H2;1-3H;1H/p-1.
What are the key properties of 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride?
3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride has a molecular weight of 862.34 g/mol, XLogP of 10.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,2-dimethylpropyl)-1-methylpiperidine;3,5-bis(2,2-dimethylpropyl)pyridine;3,5-bis(ethenyl)pyridine;3,5-dibromopyridine;chloride is sourced from PubChem (CID 158861350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).