4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium

C14H32N4+2 — CID 3066031

IUPAC4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium
SMILESC[N+]1(C)CCN(CCN2CC[N+](C)(C)CC2)CC1
InChIInChI=1S/C14H32N4/c1-17(2)11-7-15(8-12-17)5-6-16-9-13-18(3,4)14-10-16/h5-14H2,1-4H3/q+2
InChIKeyMKONZJUNUXIVNQ-UHFFFAOYSA-N
MW256.44 g/mol
LogP-0.23
Rot. Bonds3

About 4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium

4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium (PubChem CID 3066031) has the molecular formula C14H32N4+2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium.

Molecular Properties

Compound Name4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium
PubChem CID3066031
Molecular FormulaC14H32N4+2
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium
SMILESC[N+]1(C)CCN(CCN2CC[N+](C)(C)CC2)CC1
InChIInChI=1S/C14H32N4/c1-17(2)11-7-15(8-12-17)5-6-16-9-13-18(3,4)14-10-16/h5-14H2,1-4H3/q+2
InChIKeyMKONZJUNUXIVNQ-UHFFFAOYSA-N
XLogP-0.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium?
The IUPAC name of 4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium (CID 3066031) is 4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium.
What is the SMILES notation for 4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium?
The canonical SMILES for 4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium is C[N+]1(C)CCN(CCN2CC[N+](C)(C)CC2)CC1.
What is the InChIKey of 4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium?
The InChIKey is MKONZJUNUXIVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-17(2)11-7-15(8-12-17)5-6-16-9-13-18(3,4)14-10-16/h5-14H2,1-4H3/q+2.
What are the key properties of 4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium?
4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium has a molecular weight of 256.44 g/mol, XLogP of -0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1-ium is sourced from PubChem (CID 3066031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).