1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine

C14H20F2N2O — CID 117429080

IUPAC1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine
SMILESCOc1cccc(CCN2CCNCC2)c1C(F)F
InChIInChI=1S/C14H20F2N2O/c1-19-12-4-2-3-11(13(12)14(15)16)5-8-18-9-6-17-7-10-18/h2-4,14,17H,5-10H2,1H3
InChIKeyGYWVDZXYHVXODE-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.08
Rot. Bonds5

About 1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine

1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine (PubChem CID 117429080) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine
PubChem CID117429080
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine
SMILESCOc1cccc(CCN2CCNCC2)c1C(F)F
InChIInChI=1S/C14H20F2N2O/c1-19-12-4-2-3-11(13(12)14(15)16)5-8-18-9-6-17-7-10-18/h2-4,14,17H,5-10H2,1H3
InChIKeyGYWVDZXYHVXODE-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-[2-methoxy-3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 117465754
1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine
CID 84702608
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695
1-[(3-methoxy-2-methylphenyl)methyl]piperazine
CID 83707267
1-[2-(3-methoxy-4-pyridinyl)ethyl]piperazine
CID 83890061
1-[2-(2-propan-2-ylphenyl)ethyl]piperazine
CID 96808954
1-[2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]ethyl]piperazine
CID 117475075
1-[(2S)-2-fluoro-2-(2-methoxyphenyl)ethyl]piperazine
CID 129493112
1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079
1-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]piperazine
CID 117384381

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine?
The IUPAC name of 1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine (CID 117429080) is 1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine is COc1cccc(CCN2CCNCC2)c1C(F)F.
What is the InChIKey of 1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine?
The InChIKey is GYWVDZXYHVXODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-19-12-4-2-3-11(13(12)14(15)16)5-8-18-9-6-17-7-10-18/h2-4,14,17H,5-10H2,1H3.
What are the key properties of 1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine?
1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine has a molecular weight of 270.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(difluoromethyl)-3-methoxyphenyl]ethyl]piperazine is sourced from PubChem (CID 117429080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).