1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine

C14H20F2N2 — CID 171281145

IUPAC1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine
SMILESCCc1ccc([C@H](C(F)F)N2CCNCC2)cc1
InChIInChI=1S/C14H20F2N2/c1-2-11-3-5-12(6-4-11)13(14(15)16)18-9-7-17-8-10-18/h3-6,13-14,17H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyHNKAKNRMRJDNBW-CYBMUJFWSA-N
MW254.32 g/mol
LogP2.46
Rot. Bonds4

About 1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine

1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine (PubChem CID 171281145) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine
PubChem CID171281145
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine
SMILESCCc1ccc([C@H](C(F)F)N2CCNCC2)cc1
InChIInChI=1S/C14H20F2N2/c1-2-11-3-5-12(6-4-11)13(14(15)16)18-9-7-17-8-10-18/h3-6,13-14,17H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyHNKAKNRMRJDNBW-CYBMUJFWSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171281539
1-[(1S)-2,2-difluoro-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285864
1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171287219
1-[(1S)-2,2-difluoro-1-(4-methylsulfanylphenyl)ethyl]piperazine
CID 171294567
1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171180890
1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171276033
1-[(4-ethylphenyl)-phenylmethyl]piperazine
CID 3530514
1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171282505
1-[(1R)-1-(4-ethylphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303945
1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303944
1-[(1S)-1-(3,5-dimethylphenyl)-2,2-difluoroethyl]piperazine
CID 171288145
4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol
CID 171287183

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine (CID 171281145) is 1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine is CCc1ccc([C@H](C(F)F)N2CCNCC2)cc1.
What is the InChIKey of 1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine?
The InChIKey is HNKAKNRMRJDNBW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-2-11-3-5-12(6-4-11)13(14(15)16)18-9-7-17-8-10-18/h3-6,13-14,17H,2,7-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine?
1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine has a molecular weight of 254.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine is sourced from PubChem (CID 171281145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).