1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine

C26H30F2N2OS — CID 10742465

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine
SMILESFc1ccc(C(OCCN2CCN(CCCc3cccs3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H30F2N2OS/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)31-19-18-30-16-14-29(15-17-30)13-1-3-25-4-2-20-32-25/h2,4-12,20,26H,1,3,13-19H2
InChIKeyNFGAPEVEHRVFEJ-UHFFFAOYSA-N
MW456.60 g/mol
LogP5.38
Rot. Bonds10

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine (PubChem CID 10742465) has the molecular formula C26H30F2N2OS and a molecular weight of 456.60 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine
PubChem CID10742465
Molecular FormulaC26H30F2N2OS
Molecular Weight456.60 g/mol
Exact Mass456.20
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine
SMILESFc1ccc(C(OCCN2CCN(CCCc3cccs3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H30F2N2OS/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)31-19-18-30-16-14-29(15-17-30)13-1-3-25-4-2-20-32-25/h2,4-12,20,26H,1,3,13-19H2
InChIKeyNFGAPEVEHRVFEJ-UHFFFAOYSA-N
XLogP5.38
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.60
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1'-benzylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-6-yl)-N,N-dimethylmethanamine
CID 25164276
1-(4-Fluoro-benzyl)-4-[2-(phenyl-thiophen-2-yl-methoxy)-ethyl]-piperidine
CID 9978888
4-(2-benzhydryloxyethyl)-1-[(E)-3-thiophen-2-ylprop-2-enyl]piperidine
CID 10002055
1-(3-Phenyl-propyl)-4-[2-(phenyl-thiophen-2-yl-methoxy)-ethyl]-piperidine
CID 10432227
4-(2-Benzhydryloxy-ethyl)-1-thiophen-2-ylmethyl-piperidine
CID 10500677
1-(Benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperazine
CID 10504843
1-Benzyl-4-[2-(phenyl-thiophen-2-yl-methoxy)-ethyl]-piperidine
CID 10691872
1-(2-Benzhydryloxy-ethyl)-4-benzo[b]thiophen-2-ylmethyl-piperazine
CID 10694515
1-(2-Benzhydryloxy-ethyl)-4-(3-thiophen-2-yl-propyl)-piperazine
CID 10717041
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-((E)-3-thiophen-2-yl-allyl)-piperazine
CID 10742360
1-(2-Benzhydryloxy-ethyl)-4-((E)-3-thiophen-2-yl-allyl)-piperazine
CID 10788184
4-{2-[(4-Fluoro-phenyl)-thiophen-2-yl-methoxy]-ethyl}-1-(3-phenyl-propyl)-piperidine
CID 10812888

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine (CID 10742465) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine is Fc1ccc(C(OCCN2CCN(CCCc3cccs3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine?
The InChIKey is NFGAPEVEHRVFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N2OS/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)31-19-18-30-16-14-29(15-17-30)13-1-3-25-4-2-20-32-25/h2,4-12,20,26H,1,3,13-19H2.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine has a molecular weight of 456.60 g/mol, XLogP of 5.38, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(3-thiophen-2-ylpropyl)piperazine is sourced from PubChem (CID 10742465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).