tris(1-methylpiperidine);1-methylpyrrolidine

C23H50N4 — CID 159155948

IUPACtris(1-methylpiperidine);1-methylpyrrolidine
SMILESCN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/3C6H13N.C5H11N/c3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h3*2-6H2,1H3;2-5H2,1H3
InChIKeyKJWWSCRATABYSV-UHFFFAOYSA-N
MW382.68 g/mol
LogP4.02
Rot. Bonds

About tris(1-methylpiperidine);1-methylpyrrolidine

tris(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 159155948) has the molecular formula C23H50N4 and a molecular weight of 382.68 g/mol. Its IUPAC name is tris(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Nametris(1-methylpiperidine);1-methylpyrrolidine
PubChem CID159155948
Molecular FormulaC23H50N4
Molecular Weight382.68 g/mol
Exact Mass382.40
IUPAC Nametris(1-methylpiperidine);1-methylpyrrolidine
SMILESCN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1
InChIInChI=1S/3C6H13N.C5H11N/c3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h3*2-6H2,1H3;2-5H2,1H3
InChIKeyKJWWSCRATABYSV-UHFFFAOYSA-N
XLogP4.02
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.68
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tris(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of tris(1-methylpiperidine);1-methylpyrrolidine (CID 159155948) is tris(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for tris(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for tris(1-methylpiperidine);1-methylpyrrolidine is CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCCCC1.
What is the InChIKey of tris(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is KJWWSCRATABYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H13N.C5H11N/c3*1-7-5-3-2-4-6-7;1-6-4-2-3-5-6/h3*2-6H2,1H3;2-5H2,1H3.
What are the key properties of tris(1-methylpiperidine);1-methylpyrrolidine?
tris(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 382.68 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 159155948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).