1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine

C14H20F2N2O — CID 171288181

IUPAC1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine
SMILESCCOc1ccccc1[C@@H](C(F)F)N1CCNCC1
InChIInChI=1S/C14H20F2N2O/c1-2-19-12-6-4-3-5-11(12)13(14(15)16)18-9-7-17-8-10-18/h3-6,13-14,17H,2,7-10H2,1H3/t13-/m0/s1
InChIKeyVMVYFPRTNSRZIJ-ZDUSSCGKSA-N
MW270.32 g/mol
LogP2.30
Rot. Bonds5

About 1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine

1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine (PubChem CID 171288181) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine
PubChem CID171288181
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine
SMILESCCOc1ccccc1[C@@H](C(F)F)N1CCNCC1
InChIInChI=1S/C14H20F2N2O/c1-2-19-12-6-4-3-5-11(12)13(14(15)16)18-9-7-17-8-10-18/h3-6,13-14,17H,2,7-10H2,1H3/t13-/m0/s1
InChIKeyVMVYFPRTNSRZIJ-ZDUSSCGKSA-N
XLogP2.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-6-ethoxyphenol
CID 171296627
1-[(1S)-1-(2-ethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171275548
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171293872
1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177
1-[(1R)-1-(2-ethoxyphenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171169097
1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine
CID 3742579
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190
2-(2-ethoxyphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 83979111
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
CID 171310795
4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol
CID 171287183
1-[(1S)-2-cyclopropyl-1-(2-ethoxyphenyl)ethyl]piperazine
CID 171275572
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171280600

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine (CID 171288181) is 1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine is CCOc1ccccc1[C@@H](C(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine?
The InChIKey is VMVYFPRTNSRZIJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-2-19-12-6-4-3-5-11(12)13(14(15)16)18-9-7-17-8-10-18/h3-6,13-14,17H,2,7-10H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine?
1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine has a molecular weight of 270.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2-ethoxyphenyl)-2,2-difluoroethyl]piperazine is sourced from PubChem (CID 171288181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).