bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)

C34H70N6 — CID 161269260

IUPACbis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
SMILESCC1=CCN(C)CC1.CC1=CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C7H15N.2C7H13N.C6H14N2/c5*1-7-3-5-8(2)6-4-7/h2*7H,3-6H2,1-2H3;2*3H,4-6H2,1-2H3;3-6H2,1-2H3
InChIKeyVDPCQGSINHHHKO-UHFFFAOYSA-N
MW562.98 g/mol
LogP5.10
Rot. Bonds

About bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)

bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) (PubChem CID 161269260) has the molecular formula C34H70N6 and a molecular weight of 562.98 g/mol. Its IUPAC name is bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine).

Molecular Properties

Compound Namebis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
PubChem CID161269260
Molecular FormulaC34H70N6
Molecular Weight562.98 g/mol
Exact Mass562.57
IUPAC Namebis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
SMILESCC1=CCN(C)CC1.CC1=CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C7H15N.2C7H13N.C6H14N2/c5*1-7-3-5-8(2)6-4-7/h2*7H,3-6H2,1-2H3;2*3H,4-6H2,1-2H3;3-6H2,1-2H3
InChIKeyVDPCQGSINHHHKO-UHFFFAOYSA-N
XLogP5.10
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.98
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
The IUPAC name of bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) (CID 161269260) is bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine).
What is the SMILES notation for bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
The canonical SMILES for bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) is CC1=CCN(C)CC1.CC1=CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
The InChIKey is VDPCQGSINHHHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15N.2C7H13N.C6H14N2/c5*1-7-3-5-8(2)6-4-7/h2*7H,3-6H2,1-2H3;2*3H,4-6H2,1-2H3;3-6H2,1-2H3.
What are the key properties of bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)?
bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) has a molecular weight of 562.98 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine) is sourced from PubChem (CID 161269260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).