4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine

C24H32FN3O — CID 170870614

IUPAC4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine
SMILESFc1cc(CCCN2CCOCC2)ccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32FN3O/c25-23-19-21(7-4-10-26-15-17-29-18-16-26)8-9-24(23)28-13-11-27(12-14-28)20-22-5-2-1-3-6-22/h1-3,5-6,8-9,19H,4,7,10-18,20H2
InChIKeyBPJPRLZMZBUECG-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.41
Rot. Bonds7

About 4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine

4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine (PubChem CID 170870614) has the molecular formula C24H32FN3O and a molecular weight of 397.54 g/mol. Its IUPAC name is 4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine
PubChem CID170870614
Molecular FormulaC24H32FN3O
Molecular Weight397.54 g/mol
Exact Mass397.25
IUPAC Name4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine
SMILESFc1cc(CCCN2CCOCC2)ccc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H32FN3O/c25-23-19-21(7-4-10-26-15-17-29-18-16-26)8-9-24(23)28-13-11-27(12-14-28)20-22-5-2-1-3-6-22/h1-3,5-6,8-9,19H,4,7,10-18,20H2
InChIKeyBPJPRLZMZBUECG-UHFFFAOYSA-N
XLogP3.41
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[2-(4-benzylpiperazin-1-yl)-5-fluorophenyl]propyl]morpholine
CID 170870600
1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
1-benzyl-4-(4-bromo-2-fluorophenyl)piperazine
CID 130302892
2-(3-fluoro-4-morpholin-4-ylphenyl)ethanamine
CID 63784903
4-[3-(1-benzylindol-6-yl)propyl]morpholine
CID 170870729
1-benzyl-4-(2,3,4-trifluorophenyl)piperazine
CID 110452591
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
CID 170869798
benzyl 3-(3-fluoro-4-morpholin-4-ylphenyl)propanoate
CID 145192081
(3R)-1-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 51590100
O-[2-(3-fluoro-4-morpholin-4-ylphenyl)ethyl]hydroxylamine
CID 117353426

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine (CID 170870614) is 4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine is Fc1cc(CCCN2CCOCC2)ccc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine?
The InChIKey is BPJPRLZMZBUECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O/c25-23-19-21(7-4-10-26-15-17-29-18-16-26)8-9-24(23)28-13-11-27(12-14-28)20-22-5-2-1-3-6-22/h1-3,5-6,8-9,19H,4,7,10-18,20H2.
What are the key properties of 4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine?
4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine has a molecular weight of 397.54 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-benzylpiperazin-1-yl)-3-fluorophenyl]propyl]morpholine is sourced from PubChem (CID 170870614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).