1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine

C14H20F2N2 — CID 117389286

IUPAC1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine
SMILESCC(F)(F)c1ccc(CCN2CCNCC2)cc1
InChIInChI=1S/C14H20F2N2/c1-14(15,16)13-4-2-12(3-5-13)6-9-18-10-7-17-8-11-18/h2-5,17H,6-11H2,1H3
InChIKeyFLICAVDXUSZSNT-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.25
Rot. Bonds4

About 1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine

1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine (PubChem CID 117389286) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine
PubChem CID117389286
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine
SMILESCC(F)(F)c1ccc(CCN2CCNCC2)cc1
InChIInChI=1S/C14H20F2N2/c1-14(15,16)13-4-2-12(3-5-13)6-9-18-10-7-17-8-11-18/h2-5,17H,6-11H2,1H3
InChIKeyFLICAVDXUSZSNT-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-tert-butylphenyl)ethyl]-1,4-diazepane
CID 82090319
1-[2-[4-(2-methoxypropan-2-yl)phenyl]ethyl]piperazine
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2-[4-(2-piperazin-1-ylethyl)phenyl]ethanol
CID 84797085
1-[2-[4-(difluoromethyl)phenyl]ethyl]piperazine
CID 84701965
4-[2-(1,4,7,10,13-pentazacyclopentadec-1-yl)ethyl]aniline
CID 15294221
1-[2-(4-methylphenyl)ethyl]-1,4-diazepane
CID 82079414
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
1-[2-(4-propan-2-yloxyphenyl)ethyl]piperazine
CID 82255560
1-[2-[4-(difluoromethoxy)phenyl]ethyl]piperazine
CID 117394054
1-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]piperazine
CID 82308956
1-[2-(3-tert-butyl-4-ethoxyphenyl)ethyl]piperazine
CID 82263880

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine (CID 117389286) is 1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine is CC(F)(F)c1ccc(CCN2CCNCC2)cc1.
What is the InChIKey of 1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine?
The InChIKey is FLICAVDXUSZSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-14(15,16)13-4-2-12(3-5-13)6-9-18-10-7-17-8-11-18/h2-5,17H,6-11H2,1H3.
What are the key properties of 1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine?
1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine has a molecular weight of 254.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1,1-difluoroethyl)phenyl]ethyl]piperazine is sourced from PubChem (CID 117389286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).