tris(1,4-dimethylpiperidine);ethane

C25H57N3 — CID 142929769

IUPACtris(1,4-dimethylpiperidine);ethane
SMILESCC.CC.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1
InChIInChI=1S/3C7H15N.2C2H6/c3*1-7-3-5-8(2)6-4-7;2*1-2/h3*7H,3-6H2,1-2H3;2*1-2H3
InChIKeyBTGWIERLHBRBNN-UHFFFAOYSA-N
MW399.75 g/mol
LogP6.10
Rot. Bonds

About tris(1,4-dimethylpiperidine);ethane

tris(1,4-dimethylpiperidine);ethane (PubChem CID 142929769) has the molecular formula C25H57N3 and a molecular weight of 399.75 g/mol. Its IUPAC name is tris(1,4-dimethylpiperidine);ethane.

Molecular Properties

Compound Nametris(1,4-dimethylpiperidine);ethane
PubChem CID142929769
Molecular FormulaC25H57N3
Molecular Weight399.75 g/mol
Exact Mass399.46
IUPAC Nametris(1,4-dimethylpiperidine);ethane
SMILESCC.CC.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1
InChIInChI=1S/3C7H15N.2C2H6/c3*1-7-3-5-8(2)6-4-7;2*1-2/h3*7H,3-6H2,1-2H3;2*1-2H3
InChIKeyBTGWIERLHBRBNN-UHFFFAOYSA-N
XLogP6.10
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.75
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Quinuclidine
CID 7527
1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride
CID 155480
1-Methyl-1-azoniabicyclo[2.2.2]octane
CID 155481
Piperidinium, 1,1',1'-trimethyl-1,4'-ethylenedi-, diiodide
CID 3048569
1-Methyl-1-azabicyclo[2.2.2]octan-1-ium iodide
CID 12443630
3-Ethyl-1-azabicyclo[2.2.2]octane
CID 359210
3-Methylquinuclidine
CID 136518
1-Azabicyclo[2.2.2]octane, 4-ethyl-
CID 142666
1-(2-Methyl-4-piperidin-1-ylbutyl)piperidine
CID 11128366
1-Ethyl-1-azabicyclo[2.2.2]octan-1-ium
CID 13652288
1-Propyl-1-azoniabicyclo[2.2.2]octane
CID 14642664
1-Butyl-1-azoniabicyclo[2.2.2]octane
CID 14642666

Frequently Asked Questions

What is the IUPAC name of tris(1,4-dimethylpiperidine);ethane?
The IUPAC name of tris(1,4-dimethylpiperidine);ethane (CID 142929769) is tris(1,4-dimethylpiperidine);ethane.
What is the SMILES notation for tris(1,4-dimethylpiperidine);ethane?
The canonical SMILES for tris(1,4-dimethylpiperidine);ethane is CC.CC.CC1CCN(C)CC1.CC1CCN(C)CC1.CC1CCN(C)CC1.
What is the InChIKey of tris(1,4-dimethylpiperidine);ethane?
The InChIKey is BTGWIERLHBRBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H15N.2C2H6/c3*1-7-3-5-8(2)6-4-7;2*1-2/h3*7H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of tris(1,4-dimethylpiperidine);ethane?
tris(1,4-dimethylpiperidine);ethane has a molecular weight of 399.75 g/mol, XLogP of 6.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,4-dimethylpiperidine);ethane is sourced from PubChem (CID 142929769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).