bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane

C97H219N13 — CID 159472107

IUPACbis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane
SMILESC.C.C.C.C.C.C.C.C.C.CC1=CCN(C)C=C1.CC1C=CN(C)C=C1.CC1CCCCN1C.CC1CCCCN1C.CC1CCCN(C)C1.CC1CCCN(C)C1.CC1CCCN1C.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1
InChIInChI=1S/3C7H15N.2C7H11N.4C7H15N.4C6H13N.10CH4/c5*1-7-3-5-8(2)6-4-7;2*1-7-4-3-5-8(2)6-7;2*1-7-5-3-4-6-8(7)2;2*1-6-3-4-7(2)5-6;2*1-6-4-3-5-7(6)2;;;;;;;;;;/h3*7H,3-6H2,1-2H3;3-5H,6H2,1-2H3;3-7H,1-2H3;4*7H,3-6H2,1-2H3;4*6H,3-5H2,1-2H3;10*1H4
InChIKeyLVXXTLACOIVHLR-UHFFFAOYSA-N
MW1567.91 g/mol
LogP23.19
Rot. Bonds

About bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane

bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane (PubChem CID 159472107) has the molecular formula C97H219N13 and a molecular weight of 1567.91 g/mol. Its IUPAC name is bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane.

Molecular Properties

Compound Namebis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane
PubChem CID159472107
Molecular FormulaC97H219N13
Molecular Weight1567.91 g/mol
Exact Mass1566.75
IUPAC Namebis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane
SMILESC.C.C.C.C.C.C.C.C.C.CC1=CCN(C)C=C1.CC1C=CN(C)C=C1.CC1CCCCN1C.CC1CCCCN1C.CC1CCCN(C)C1.CC1CCCN(C)C1.CC1CCCN1C.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1
InChIInChI=1S/3C7H15N.2C7H11N.4C7H15N.4C6H13N.10CH4/c5*1-7-3-5-8(2)6-4-7;2*1-7-4-3-5-8(2)6-7;2*1-7-5-3-4-6-8(7)2;2*1-6-3-4-7(2)5-6;2*1-6-4-3-5-7(6)2;;;;;;;;;;/h3*7H,3-6H2,1-2H3;3-5H,6H2,1-2H3;3-7H,1-2H3;4*7H,3-6H2,1-2H3;4*6H,3-5H2,1-2H3;10*1H4
InChIKeyLVXXTLACOIVHLR-UHFFFAOYSA-N
XLogP23.19
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001567.91
LogP ≤ 523.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane?
The IUPAC name of bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane (CID 159472107) is bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane.
What is the SMILES notation for bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane?
The canonical SMILES for bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane is C.C.C.C.C.C.C.C.C.C.CC1=CCN(C)C=C1.CC1C=CN(C)C=C1.CC1CCCCN1C.CC1CCCCN1C.CC1CCCN(C)C1.CC1CCCN(C)C1.CC1CCCN1C.CC1CCCN1C.CC1CCN(C)C1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.
What is the InChIKey of bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane?
The InChIKey is LVXXTLACOIVHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H15N.2C7H11N.4C7H15N.4C6H13N.10CH4/c5*1-7-3-5-8(2)6-4-7;2*1-7-4-3-5-8(2)6-7;2*1-7-5-3-4-6-8(7)2;2*1-6-3-4-7(2)5-6;2*1-6-4-3-5-7(6)2;;;;;;;;;;/h3*7H,3-6H2,1-2H3;3-5H,6H2,1-2H3;3-7H,1-2H3;4*7H,3-6H2,1-2H3;4*6H,3-5H2,1-2H3;10*1H4.
What are the key properties of bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane?
bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane has a molecular weight of 1567.91 g/mol, XLogP of 23.19, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-dimethylpiperidine);bis(1,3-dimethylpiperidine);tris(1,4-dimethylpiperidine);1,4-dimethyl-2H-pyridine;1,4-dimethyl-4H-pyridine;bis(1,2-dimethylpyrrolidine);bis(1,3-dimethylpyrrolidine);methane is sourced from PubChem (CID 159472107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).