1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine

C23H32N2O — CID 2195083

IUPAC1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine
SMILESCC(C)(c1ccccc1)c1ccc(OCCCCN2CCNCC2)cc1
InChIInChI=1S/C23H32N2O/c1-23(2,20-8-4-3-5-9-20)21-10-12-22(13-11-21)26-19-7-6-16-25-17-14-24-15-18-25/h3-5,8-13,24H,6-7,14-19H2,1-2H3
InChIKeyOMCBZDDSQHECJT-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.08
Rot. Bonds8

About 1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine

1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine (PubChem CID 2195083) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine.

Molecular Properties

Compound Name1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine
PubChem CID2195083
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine
SMILESCC(C)(c1ccccc1)c1ccc(OCCCCN2CCNCC2)cc1
InChIInChI=1S/C23H32N2O/c1-23(2,20-8-4-3-5-9-20)21-10-12-22(13-11-21)26-19-7-6-16-25-17-14-24-15-18-25/h3-5,8-13,24H,6-7,14-19H2,1-2H3
InChIKeyOMCBZDDSQHECJT-UHFFFAOYSA-N
XLogP4.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.08
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-phenoxypropyl)piperazine
CID 2760351
oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine
CID 2943786
1-[4-(4-ethoxyphenoxy)butyl]piperazine;oxalic acid
CID 2943850
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
oxalic acid;1-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 2944148
1-[6-(2-tert-butylphenoxy)hexyl]piperazine
CID 3399314
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine?
The IUPAC name of 1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine (CID 2195083) is 1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine.
What is the SMILES notation for 1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine?
The canonical SMILES for 1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine is CC(C)(c1ccccc1)c1ccc(OCCCCN2CCNCC2)cc1.
What is the InChIKey of 1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine?
The InChIKey is OMCBZDDSQHECJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-23(2,20-8-4-3-5-9-20)21-10-12-22(13-11-21)26-19-7-6-16-25-17-14-24-15-18-25/h3-5,8-13,24H,6-7,14-19H2,1-2H3.
What are the key properties of 1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine?
1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine has a molecular weight of 352.52 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine is sourced from PubChem (CID 2195083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).