1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine

C21H26F2N2O — CID 11222141

IUPAC1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine
SMILESFc1ccc(C(OCCCCN2CCNCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H26F2N2O/c22-19-7-3-17(4-8-19)21(18-5-9-20(23)10-6-18)26-16-2-1-13-25-14-11-24-12-15-25/h3-10,21,24H,1-2,11-16H2
InChIKeyNGJKXNGGMZDNOU-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.76
Rot. Bonds8

About 1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine

1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine (PubChem CID 11222141) has the molecular formula C21H26F2N2O and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine.

Molecular Properties

Compound Name1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine
PubChem CID11222141
Molecular FormulaC21H26F2N2O
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine
SMILESFc1ccc(C(OCCCCN2CCNCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H26F2N2O/c22-19-7-3-17(4-8-19)21(18-5-9-20(23)10-6-18)26-16-2-1-13-25-14-11-24-12-15-25/h3-10,21,24H,1-2,11-16H2
InChIKeyNGJKXNGGMZDNOU-UHFFFAOYSA-N
XLogP3.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.76
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-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
CID 4742801
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024524
1-(2-benzhydryloxyethyl)piperazine chloride
CID 53314194
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046260
4-[bis(4-fluorophenyl)methoxy]butan-1-amine
CID 71092027
ethyl 3-[4-[3-[(4-fluorophenyl)-phenylmethoxy]propyl]piperazin-1-yl]propanoate;dihydrochloride
CID 70625738
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride
CID 53347186
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024525
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid
CID 139851809
1-(6-propan-2-yloxyhexyl)piperazine
CID 148670601
1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 82073403
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 12017337

Frequently Asked Questions

What is the IUPAC name of 1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine?
The IUPAC name of 1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine (CID 11222141) is 1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine.
What is the SMILES notation for 1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine?
The canonical SMILES for 1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine is Fc1ccc(C(OCCCCN2CCNCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine?
The InChIKey is NGJKXNGGMZDNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O/c22-19-7-3-17(4-8-19)21(18-5-9-20(23)10-6-18)26-16-2-1-13-25-14-11-24-12-15-25/h3-10,21,24H,1-2,11-16H2.
What are the key properties of 1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine?
1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine has a molecular weight of 360.45 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[bis(4-fluorophenyl)methoxy]butyl]piperazine is sourced from PubChem (CID 11222141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).