1-[6-(2-tert-butylphenoxy)hexyl]piperazine

C20H34N2O — CID 3399314

IUPAC1-[6-(2-tert-butylphenoxy)hexyl]piperazine
SMILESCC(C)(C)c1ccccc1OCCCCCCN1CCNCC1
InChIInChI=1S/C20H34N2O/c1-20(2,3)18-10-6-7-11-19(18)23-17-9-5-4-8-14-22-15-12-21-13-16-22/h6-7,10-11,21H,4-5,8-9,12-17H2,1-3H3
InChIKeyGWROMHXZCHMDGC-UHFFFAOYSA-N
MW318.50 g/mol
LogP3.83
Rot. Bonds8

About 1-[6-(2-tert-butylphenoxy)hexyl]piperazine

1-[6-(2-tert-butylphenoxy)hexyl]piperazine (PubChem CID 3399314) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-[6-(2-tert-butylphenoxy)hexyl]piperazine.

Molecular Properties

Compound Name1-[6-(2-tert-butylphenoxy)hexyl]piperazine
PubChem CID3399314
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name1-[6-(2-tert-butylphenoxy)hexyl]piperazine
SMILESCC(C)(C)c1ccccc1OCCCCCCN1CCNCC1
InChIInChI=1S/C20H34N2O/c1-20(2,3)18-10-6-7-11-19(18)23-17-9-5-4-8-14-22-15-12-21-13-16-22/h6-7,10-11,21H,4-5,8-9,12-17H2,1-3H3
InChIKeyGWROMHXZCHMDGC-UHFFFAOYSA-N
XLogP3.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690
1-[4-(2-tert-butylphenoxy)butyl]piperidine
CID 2057725
1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine
CID 5223642
2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392853
1-[4-(2-bromophenoxy)butyl]piperazine
CID 2944247
1-tert-butyl-2-heptoxybenzene
CID 64763672
1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine
CID 2195083
1-(9-bromononoxy)-2-tert-butylbenzene
CID 105343207
1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine
CID 82353822
1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 30075978
1-[4-(2-tert-butyl-4-methylphenoxy)butyl]pyrrolidine
CID 2263098
1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
CID 5154793

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-tert-butylphenoxy)hexyl]piperazine?
The IUPAC name of 1-[6-(2-tert-butylphenoxy)hexyl]piperazine (CID 3399314) is 1-[6-(2-tert-butylphenoxy)hexyl]piperazine.
What is the SMILES notation for 1-[6-(2-tert-butylphenoxy)hexyl]piperazine?
The canonical SMILES for 1-[6-(2-tert-butylphenoxy)hexyl]piperazine is CC(C)(C)c1ccccc1OCCCCCCN1CCNCC1.
What is the InChIKey of 1-[6-(2-tert-butylphenoxy)hexyl]piperazine?
The InChIKey is GWROMHXZCHMDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-20(2,3)18-10-6-7-11-19(18)23-17-9-5-4-8-14-22-15-12-21-13-16-22/h6-7,10-11,21H,4-5,8-9,12-17H2,1-3H3.
What are the key properties of 1-[6-(2-tert-butylphenoxy)hexyl]piperazine?
1-[6-(2-tert-butylphenoxy)hexyl]piperazine has a molecular weight of 318.50 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-tert-butylphenoxy)hexyl]piperazine is sourced from PubChem (CID 3399314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).