tetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine

C61H131N11O — CID 159117797

IUPACtetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine
SMILESC.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.Cn1cccc1
InChIInChI=1S/4C7H15N.2C6H13N.C5H12N2.C5H11NO.C5H11N.C5H7N.CH4/c4*1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;/h4*7H,3-6H2,1-2H3;2*2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H,1H3;1H4
InChIKeyKFHMYCXUIWXZIM-UHFFFAOYSA-N
MW1034.79 g/mol
LogP9.44
Rot. Bonds

About tetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine

tetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine (PubChem CID 159117797) has the molecular formula C61H131N11O and a molecular weight of 1034.79 g/mol. Its IUPAC name is tetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine.

Molecular Properties

Compound Nametetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine
PubChem CID159117797
Molecular FormulaC61H131N11O
Molecular Weight1034.79 g/mol
Exact Mass1034.05
IUPAC Nametetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine
SMILESC.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.Cn1cccc1
InChIInChI=1S/4C7H15N.2C6H13N.C5H12N2.C5H11NO.C5H11N.C5H7N.CH4/c4*1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;/h4*7H,3-6H2,1-2H3;2*2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H,1H3;1H4
InChIKeyKFHMYCXUIWXZIM-UHFFFAOYSA-N
XLogP9.44
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001034.79
LogP ≤ 59.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of tetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine?
The IUPAC name of tetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine (CID 159117797) is tetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine.
What is the SMILES notation for tetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine?
The canonical SMILES for tetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine is C.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCNCC1.CN1CCOCC1.Cn1cccc1.
What is the InChIKey of tetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine?
The InChIKey is KFHMYCXUIWXZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H15N.2C6H13N.C5H12N2.C5H11NO.C5H11N.C5H7N.CH4/c4*1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;2*1-6-4-2-3-5-6;/h4*7H,3-6H2,1-2H3;2*2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;2-5H2,1H3;2-5H,1H3;1H4.
What are the key properties of tetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine?
tetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine has a molecular weight of 1034.79 g/mol, XLogP of 9.44, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,4-dimethylpiperidine);methane;4-methylmorpholine;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrole;1-methylpyrrolidine is sourced from PubChem (CID 159117797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).