1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride

C21H29Cl2FN2O — CID 67298873

IUPAC1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(OCCN2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27FN2O.2ClH/c22-20-8-10-21(11-9-20)25-18-17-24-15-13-23(14-16-24)12-4-7-19-5-2-1-3-6-19;;/h1-3,5-6,8-11H,4,7,12-18H2;2*1H
InChIKeyMLANSPHCDQTOIS-UHFFFAOYSA-N
MW415.38 g/mol
LogP4.30
Rot. Bonds8

About 1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride

1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride (PubChem CID 67298873) has the molecular formula C21H29Cl2FN2O and a molecular weight of 415.38 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
PubChem CID67298873
Molecular FormulaC21H29Cl2FN2O
Molecular Weight415.38 g/mol
Exact Mass414.16
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(OCCN2CCN(CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27FN2O.2ClH/c22-20-8-10-21(11-9-20)25-18-17-24-15-13-23(14-16-24)12-4-7-19-5-2-1-3-6-19;;/h1-3,5-6,8-11H,4,7,12-18H2;2*1H
InChIKeyMLANSPHCDQTOIS-UHFFFAOYSA-N
XLogP4.30
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 67298811
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;sulfuric acid
CID 10239703
1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
CID 117067777
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-methyl-2-phenylpentanenitrile
CID 20727020
5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile;hydrochloride
CID 22718242
1-benzylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine
CID 110413693
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
1-octadecyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;dihydrochloride
CID 56955425
1-[2-[4-(fluoromethyl)phenoxy]ethyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 123651521

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride (CID 67298873) is 1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride is Cl.Cl.Fc1ccc(OCCN2CCN(CCCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride?
The InChIKey is MLANSPHCDQTOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O.2ClH/c22-20-8-10-21(11-9-20)25-18-17-24-15-13-23(14-16-24)12-4-7-19-5-2-1-3-6-19;;/h1-3,5-6,8-11H,4,7,12-18H2;2*1H.
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride?
1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride has a molecular weight of 415.38 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]-4-(3-phenylpropyl)piperazine;dihydrochloride is sourced from PubChem (CID 67298873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).