1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine

C20H34N2O — CID 5223642

IUPAC1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine
SMILESCc1ccc(OCCCCCN2CCNCC2)c(C(C)(C)C)c1
InChIInChI=1S/C20H34N2O/c1-17-8-9-19(18(16-17)20(2,3)4)23-15-7-5-6-12-22-13-10-21-11-14-22/h8-9,16,21H,5-7,10-15H2,1-4H3
InChIKeyHNTGDIFPLRVSRZ-UHFFFAOYSA-N
MW318.50 g/mol
LogP3.75
Rot. Bonds7

About 1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine

1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine (PubChem CID 5223642) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine.

Molecular Properties

Compound Name1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine
PubChem CID5223642
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine
SMILESCc1ccc(OCCCCCN2CCNCC2)c(C(C)(C)C)c1
InChIInChI=1S/C20H34N2O/c1-17-8-9-19(18(16-17)20(2,3)4)23-15-7-5-6-12-22-13-10-21-11-14-22/h8-9,16,21H,5-7,10-15H2,1-4H3
InChIKeyHNTGDIFPLRVSRZ-UHFFFAOYSA-N
XLogP3.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.75
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-[4-(2-tert-butyl-4-methylphenoxy)butyl]pyrrolidine
CID 2263098
1-[6-(2-tert-butylphenoxy)hexyl]piperazine
CID 3399314
3-(2-tert-butyl-4-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39306106
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690
1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
CID 5154793
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazine
CID 3398296
1-[4-(2-tert-butyl-4-chlorophenoxy)butyl]-4-methylpiperazine
CID 2299696
1-[2-(3-tert-butyl-4-ethoxyphenyl)ethyl]piperazine
CID 82263880
1-[4-(2-tert-butylphenoxy)butyl]piperidine
CID 2057725
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
2-amino-6-(2-tert-butyl-4-methylphenoxy)-2-methylhexan-1-ol
CID 64802218
(2R,6R)-4-[2-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 2183742

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine?
The IUPAC name of 1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine (CID 5223642) is 1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine.
What is the SMILES notation for 1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine?
The canonical SMILES for 1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine is Cc1ccc(OCCCCCN2CCNCC2)c(C(C)(C)C)c1.
What is the InChIKey of 1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine?
The InChIKey is HNTGDIFPLRVSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-17-8-9-19(18(16-17)20(2,3)4)23-15-7-5-6-12-22-13-10-21-11-14-22/h8-9,16,21H,5-7,10-15H2,1-4H3.
What are the key properties of 1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine?
1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine has a molecular weight of 318.50 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine is sourced from PubChem (CID 5223642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).