1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride

C24H27Cl2F2N3O — CID 18348689

IUPAC1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(C(OCCN2CCN(c3ccccn3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25F2N3O.2ClH/c25-21-8-4-19(5-9-21)24(20-6-10-22(26)11-7-20)30-18-17-28-13-15-29(16-14-28)23-3-1-2-12-27-23;;/h1-12,24H,13-18H2;2*1H
InChIKeySOTMHAUNFWRSMZ-UHFFFAOYSA-N
MW482.40 g/mol
LogP5.13
Rot. Bonds7

About 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride (PubChem CID 18348689) has the molecular formula C24H27Cl2F2N3O and a molecular weight of 482.40 g/mol. Its IUPAC name is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride
PubChem CID18348689
Molecular FormulaC24H27Cl2F2N3O
Molecular Weight482.40 g/mol
Exact Mass481.15
IUPAC Name1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(C(OCCN2CCN(c3ccccn3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25F2N3O.2ClH/c25-21-8-4-19(5-9-21)24(20-6-10-22(26)11-7-20)30-18-17-28-13-15-29(16-14-28)23-3-1-2-12-27-23;;/h1-12,24H,13-18H2;2*1H
InChIKeySOTMHAUNFWRSMZ-UHFFFAOYSA-N
XLogP5.13
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024524
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024525
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine chloride
CID 53347186
(1S)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 10027543
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 175765241
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046260
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid
CID 139851809
1-(2-ethoxyethyl)-4-pyridin-2-yl-1,4-diazepane
CID 75506679

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride?
The IUPAC name of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride (CID 18348689) is 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride.
What is the SMILES notation for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride?
The canonical SMILES for 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride is Cl.Cl.Fc1ccc(C(OCCN2CCN(c3ccccn3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride?
The InChIKey is SOTMHAUNFWRSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O.2ClH/c25-21-8-4-19(5-9-21)24(20-6-10-22(26)11-7-20)30-18-17-28-13-15-29(16-14-28)23-3-1-2-12-27-23;;/h1-12,24H,13-18H2;2*1H.
What are the key properties of 1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride?
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride has a molecular weight of 482.40 g/mol, XLogP of 5.13, 7 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-pyridin-2-ylpiperazine;dihydrochloride is sourced from PubChem (CID 18348689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).