1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine

C13H18F2N2O — CID 115047761

IUPAC1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine
SMILESCOc1cc(C(C)(F)F)ccc1N1CCNCC1
InChIInChI=1S/C13H18F2N2O/c1-13(14,15)10-3-4-11(12(9-10)18-2)17-7-5-16-6-8-17/h3-4,9,16H,5-8H2,1-2H3
InChIKeyWIBJRYHHDLXAOD-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.22
Rot. Bonds3

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

1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine (PubChem CID 115047761) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine.

Molecular Properties

Compound Name1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine
PubChem CID115047761
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine
SMILESCOc1cc(C(C)(F)F)ccc1N1CCNCC1
InChIInChI=1S/C13H18F2N2O/c1-13(14,15)10-3-4-11(12(9-10)18-2)17-7-5-16-6-8-17/h3-4,9,16H,5-8H2,1-2H3
InChIKeyWIBJRYHHDLXAOD-UHFFFAOYSA-N
XLogP2.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methoxy-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 121225637
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
1-(4-iodo-2-methoxyphenyl)piperazine
CID 134534497
1-[[5-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]piperazine
CID 117429097
(3-methoxy-4-piperazin-1-ylphenyl)methanol
CID 84788686
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
1-(3-fluoro-2,4-dimethoxyphenyl)piperazine
CID 84800502
1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
CID 131731751
1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride
CID 71756588
1-[2-methoxy-4-(2-methoxyethoxy)phenyl]piperazine;hydrochloride
CID 156693635
1-[2,4-bis(trifluoromethyl)phenyl]piperazine
CID 86600709
N-[(3-methoxy-4-piperazin-1-ylphenyl)methyl]-N-propylpropan-1-amine
CID 84754111

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine?
The IUPAC name of 1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine (CID 115047761) is 1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine.
What is the SMILES notation for 1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine?
The canonical SMILES for 1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine is COc1cc(C(C)(F)F)ccc1N1CCNCC1.
What is the InChIKey of 1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine?
The InChIKey is WIBJRYHHDLXAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-13(14,15)10-3-4-11(12(9-10)18-2)17-7-5-16-6-8-17/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of 1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine?
1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine has a molecular weight of 256.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroethyl)-2-methoxyphenyl]piperazine is sourced from PubChem (CID 115047761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).