1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride

C32H34Cl2F2N2O — CID 19849738

IUPAC1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(C(OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C32H32F2N2O.2ClH/c33-29-15-11-27(12-16-29)32(28-13-17-30(34)18-14-28)37-24-23-35-19-21-36(22-20-35)31(25-7-3-1-4-8-25)26-9-5-2-6-10-26;;/h1-18,31-32H,19-24H2;2*1H
InChIKeyRADOWBCSGPQUIL-UHFFFAOYSA-N
MW571.54 g/mol
LogP7.32
Rot. Bonds9

About 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride

1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride (PubChem CID 19849738) has the molecular formula C32H34Cl2F2N2O and a molecular weight of 571.54 g/mol. Its IUPAC name is 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
PubChem CID19849738
Molecular FormulaC32H34Cl2F2N2O
Molecular Weight571.54 g/mol
Exact Mass570.20
IUPAC Name1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1ccc(C(OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C32H32F2N2O.2ClH/c33-29-15-11-27(12-16-29)32(28-13-17-30(34)18-14-28)37-24-23-35-19-21-36(22-20-35)31(25-7-3-1-4-8-25)26-9-5-2-6-10-26;;/h1-18,31-32H,19-24H2;2*1H
InChIKeyRADOWBCSGPQUIL-UHFFFAOYSA-N
XLogP7.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.54
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol
CID 10027543
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024524
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
CID 4742801
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 12017337
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-(2-naphthalen-1-ylethyl)piperazine
CID 10838642
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046260
1-[2-[(4-bromophenyl)-(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024525
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride
CID 18348689
1-(2-benzhydryloxyethyl)piperazine chloride
CID 53314194
1-(2-benzhydryloxyethyl)piperidin-4-one
CID 10614853

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride (CID 19849738) is 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride is Cl.Cl.Fc1ccc(C(OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride?
The InChIKey is RADOWBCSGPQUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N2O.2ClH/c33-29-15-11-27(12-16-29)32(28-13-17-30(34)18-14-28)37-24-23-35-19-21-36(22-20-35)31(25-7-3-1-4-8-25)26-9-5-2-6-10-26;;/h1-18,31-32H,19-24H2;2*1H.
What are the key properties of 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride?
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride has a molecular weight of 571.54 g/mol, XLogP of 7.32, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 19849738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).