bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)

C34H79N7 — CID 157233170

IUPACbis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
SMILESCC.CC.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C6H14N2.3C6H13N.2C2H6/c2*1-7-3-5-8(2)6-4-7;3*1-7-5-3-2-4-6-7;2*1-2/h2*3-6H2,1-2H3;3*2-6H2,1H3;2*1-2H3
InChIKeyAUIJWVKLBUJSMA-UHFFFAOYSA-N
MW586.06 g/mol
LogP5.09
Rot. Bonds

About bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)

bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine) (PubChem CID 157233170) has the molecular formula C34H79N7 and a molecular weight of 586.06 g/mol. Its IUPAC name is bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine).

Molecular Properties

Compound Namebis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
PubChem CID157233170
Molecular FormulaC34H79N7
Molecular Weight586.06 g/mol
Exact Mass585.64
IUPAC Namebis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
SMILESCC.CC.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(C)CC1
InChIInChI=1S/2C6H14N2.3C6H13N.2C2H6/c2*1-7-3-5-8(2)6-4-7;3*1-7-5-3-2-4-6-7;2*1-2/h2*3-6H2,1-2H3;3*2-6H2,1H3;2*1-2H3
InChIKeyAUIJWVKLBUJSMA-UHFFFAOYSA-N
XLogP5.09
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.06
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
CID 161204219
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
ethane;bis(1-methylpyrrolidine)
CID 153385238
azane;ethane;methane;1-methylpiperidine
CID 159571038
1,3,6-trimethyl-1,3,6-triazecane
CID 154027654
ethane;methanol;1-methylazepane
CID 171650925
methane;tris(1-methylpiperidine)
CID 162076357

Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)?
The IUPAC name of bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine) (CID 157233170) is bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine).
What is the SMILES notation for bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)?
The canonical SMILES for bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine) is CC.CC.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.CN1CCN(C)CC1.
What is the InChIKey of bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)?
The InChIKey is AUIJWVKLBUJSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14N2.3C6H13N.2C2H6/c2*1-7-3-5-8(2)6-4-7;3*1-7-5-3-2-4-6-7;2*1-2/h2*3-6H2,1-2H3;3*2-6H2,1H3;2*1-2H3.
What are the key properties of bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)?
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine) has a molecular weight of 586.06 g/mol, XLogP of 5.09, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine) is sourced from PubChem (CID 157233170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).