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

C44H100N6 — CID 159263145

IUPACbis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane
SMILESCC.CC.CC.CC.CC.CC1=CCN(C)CC1.CC1=CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C7H15N.2C7H13N.C6H14N2.5C2H6/c5*1-7-3-5-8(2)6-4-7;5*1-2/h2*7H,3-6H2,1-2H3;2*3H,4-6H2,1-2H3;3-6H2,1-2H3;5*1-2H3
InChIKeyKWTLKYJONMQNRT-UHFFFAOYSA-N
MW713.33 g/mol
LogP10.23
Rot. Bonds

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

bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane (PubChem CID 159263145) has the molecular formula C44H100N6 and a molecular weight of 713.33 g/mol. Its IUPAC name is bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane.

Molecular Properties

Compound Namebis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane
PubChem CID159263145
Molecular FormulaC44H100N6
Molecular Weight713.33 g/mol
Exact Mass712.80
IUPAC Namebis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane
SMILESCC.CC.CC.CC.CC.CC1=CCN(C)CC1.CC1=CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C7H15N.2C7H13N.C6H14N2.5C2H6/c5*1-7-3-5-8(2)6-4-7;5*1-2/h2*7H,3-6H2,1-2H3;2*3H,4-6H2,1-2H3;3-6H2,1-2H3;5*1-2H3
InChIKeyKWTLKYJONMQNRT-UHFFFAOYSA-N
XLogP10.23
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.33
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

1-[2-[1-(2-Butan-2-ylpent-2-enyl)piperidin-4-yl]ethyl]-4-methylpiperazine
CID 139498185
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
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
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine
CID 158248494
1-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine;1-tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;methane
CID 158905108
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 159061452
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
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethane
CID 159241822
1,4-dimethylcyclohexane;1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane
CID 159328824
1-Tert-butyl-4-methylpiperazine;1-tert-butyl-4-methylpiperidine;1-tert-butyl-2,3,4,6-tetrahydropyridin-4-ide;uranium
CID 159521265
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine)
CID 159527241

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);ethane?
The IUPAC name of bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane (CID 159263145) is bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane.
What is the SMILES notation for bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane?
The canonical SMILES for bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane is CC.CC.CC.CC.CC.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);ethane?
The InChIKey is KWTLKYJONMQNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H15N.2C7H13N.C6H14N2.5C2H6/c5*1-7-3-5-8(2)6-4-7;5*1-2/h2*7H,3-6H2,1-2H3;2*3H,4-6H2,1-2H3;3-6H2,1-2H3;5*1-2H3.
What are the key properties of bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane?
bis(1,4-dimethyl-3,6-dihydro-2H-pyridine);1,4-dimethylpiperazine;bis(1,4-dimethylpiperidine);ethane has a molecular weight of 713.33 g/mol, XLogP of 10.23, 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);ethane is sourced from PubChem (CID 159263145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).