1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride

C19H24Cl2F2N2O — CID 171281175

IUPAC1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)[C@@H](c1cccc(OCc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C19H22F2N2O.2ClH/c20-19(21)18(23-11-9-22-10-12-23)16-7-4-8-17(13-16)24-14-15-5-2-1-3-6-15;;/h1-8,13,18-19,22H,9-12,14H2;2*1H/t18-;;/m1../s1
InChIKeyXCKCBTLUBMYZCP-JPKZNVRTSA-N
MW405.32 g/mol
LogP4.32
Rot. Bonds6

About 1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride

1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171281175) has the molecular formula C19H24Cl2F2N2O and a molecular weight of 405.32 g/mol. Its IUPAC name is 1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
PubChem CID171281175
Molecular FormulaC19H24Cl2F2N2O
Molecular Weight405.32 g/mol
Exact Mass404.12
IUPAC Name1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)[C@@H](c1cccc(OCc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C19H22F2N2O.2ClH/c20-19(21)18(23-11-9-22-10-12-23)16-7-4-8-17(13-16)24-14-15-5-2-1-3-6-15;;/h1-8,13,18-19,22H,9-12,14H2;2*1H/t18-;;/m1../s1
InChIKeyXCKCBTLUBMYZCP-JPKZNVRTSA-N
XLogP4.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(3,5-dimethyl-4-phenylmethoxyphenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171295622
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
CID 4209262
1-[(S)-cyclopropyl-(3-phenylmethoxyphenyl)methyl]piperazine
CID 171281179
1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine
CID 171293821
1-[(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butyl]piperazine
CID 171172354
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171280600
1-[(S)-oxan-4-yl-(3-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171281190
1-[(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171293140
3-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285431
1-[(4-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3759921
1-[(3-phenylmethoxyphenyl)-pyridin-3-ylmethyl]-1,4-diazepane
CID 3770169
1-[(2-methylphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3504190

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride (CID 171281175) is 1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride is Cl.Cl.FC(F)[C@@H](c1cccc(OCc2ccccc2)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is XCKCBTLUBMYZCP-JPKZNVRTSA-N. The full InChI is InChI=1S/C19H22F2N2O.2ClH/c20-19(21)18(23-11-9-22-10-12-23)16-7-4-8-17(13-16)24-14-15-5-2-1-3-6-15;;/h1-8,13,18-19,22H,9-12,14H2;2*1H/t18-;;/m1../s1.
What are the key properties of 1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 405.32 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).