1-[3-(2-tert-butylphenoxy)propyl]piperazine

C17H28N2O — CID 2194690

IUPAC1-[3-(2-tert-butylphenoxy)propyl]piperazine
SMILESCC(C)(C)c1ccccc1OCCCN1CCNCC1
InChIInChI=1S/C17H28N2O/c1-17(2,3)15-7-4-5-8-16(15)20-14-6-11-19-12-9-18-10-13-19/h4-5,7-8,18H,6,9-14H2,1-3H3
InChIKeyPUXZLGDDVMWMJK-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.66
Rot. Bonds5

About 1-[3-(2-tert-butylphenoxy)propyl]piperazine

1-[3-(2-tert-butylphenoxy)propyl]piperazine (PubChem CID 2194690) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[3-(2-tert-butylphenoxy)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(2-tert-butylphenoxy)propyl]piperazine
PubChem CID2194690
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[3-(2-tert-butylphenoxy)propyl]piperazine
SMILESCC(C)(C)c1ccccc1OCCCN1CCNCC1
InChIInChI=1S/C17H28N2O/c1-17(2,3)15-7-4-5-8-16(15)20-14-6-11-19-12-9-18-10-13-19/h4-5,7-8,18H,6,9-14H2,1-3H3
InChIKeyPUXZLGDDVMWMJK-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.66
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-[6-(2-tert-butylphenoxy)hexyl]piperazine
CID 3399314
1-[4-(2-tert-butylphenoxy)butyl]piperidine
CID 2057725
2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392853
1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine
CID 5223642
1-[4-(2-bromophenoxy)butyl]piperazine
CID 2944247
1-(3-phenoxypropyl)piperazine
CID 2760351
1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine
CID 82353822
1-[2-[2-(2-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 30075978
1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperazine
CID 762602
1-[2-[2-(2-bromophenoxy)ethoxy]ethyl]piperazine
CID 2298410
1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine
CID 2195083
4-methyl-1-[3-[2-(trifluoromethyl)phenoxy]propyl]piperidin-4-ol
CID 121418449

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-tert-butylphenoxy)propyl]piperazine?
The IUPAC name of 1-[3-(2-tert-butylphenoxy)propyl]piperazine (CID 2194690) is 1-[3-(2-tert-butylphenoxy)propyl]piperazine.
What is the SMILES notation for 1-[3-(2-tert-butylphenoxy)propyl]piperazine?
The canonical SMILES for 1-[3-(2-tert-butylphenoxy)propyl]piperazine is CC(C)(C)c1ccccc1OCCCN1CCNCC1.
What is the InChIKey of 1-[3-(2-tert-butylphenoxy)propyl]piperazine?
The InChIKey is PUXZLGDDVMWMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)15-7-4-5-8-16(15)20-14-6-11-19-12-9-18-10-13-19/h4-5,7-8,18H,6,9-14H2,1-3H3.
What are the key properties of 1-[3-(2-tert-butylphenoxy)propyl]piperazine?
1-[3-(2-tert-butylphenoxy)propyl]piperazine has a molecular weight of 276.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-tert-butylphenoxy)propyl]piperazine is sourced from PubChem (CID 2194690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).