2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine

C14H31N3O — CID 114127999

IUPAC2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCCN1CCNC(C(C)(C)C)C1
InChIInChI=1S/C14H31N3O/c1-14(2,3)13-12-17(7-6-15-13)9-11-18-10-8-16(4)5/h13,15H,6-12H2,1-5H3
InChIKeyAIRXIULWVKVUFK-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.88
Rot. Bonds6

About 2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine

2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine (PubChem CID 114127999) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine
PubChem CID114127999
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOCCN1CCNC(C(C)(C)C)C1
InChIInChI=1S/C14H31N3O/c1-14(2,3)13-12-17(7-6-15-13)9-11-18-10-8-16(4)5/h13,15H,6-12H2,1-5H3
InChIKeyAIRXIULWVKVUFK-UHFFFAOYSA-N
XLogP0.88
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine (CID 114127999) is 2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine is CN(C)CCOCCN1CCNC(C(C)(C)C)C1.
What is the InChIKey of 2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine?
The InChIKey is AIRXIULWVKVUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-14(2,3)13-12-17(7-6-15-13)9-11-18-10-8-16(4)5/h13,15H,6-12H2,1-5H3.
What are the key properties of 2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine?
2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine has a molecular weight of 257.42 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-tert-butylpiperazin-1-yl)ethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 114127999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).