1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine

C13H18F2N2O — CID 171287219

IUPAC1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccc([C@@H](C(F)F)N2CCNCC2)cc1
InChIInChI=1S/C13H18F2N2O/c1-18-11-4-2-10(3-5-11)12(13(14)15)17-8-6-16-7-9-17/h2-5,12-13,16H,6-9H2,1H3/t12-/m0/s1
InChIKeyHXTCHNKKBWEUOX-LBPRGKRZSA-N
MW256.30 g/mol
LogP1.91
Rot. Bonds4

About 1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine

1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine (PubChem CID 171287219) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine
PubChem CID171287219
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccc([C@@H](C(F)F)N2CCNCC2)cc1
InChIInChI=1S/C13H18F2N2O/c1-18-11-4-2-10(3-5-11)12(13(14)15)17-8-6-16-7-9-17/h2-5,12-13,16H,6-9H2,1H3/t12-/m0/s1
InChIKeyHXTCHNKKBWEUOX-LBPRGKRZSA-N
XLogP1.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
1-[(1S)-2,2-difluoro-1-(4-fluoro-3-methoxyphenyl)ethyl]piperazine
CID 171290660
1-[(1R)-1-(4-ethylphenyl)-2,2-difluoroethyl]piperazine
CID 171281145
1-[(1S)-2,2-difluoro-1-(4-methylsulfanylphenyl)ethyl]piperazine
CID 171294567
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
CID 171175380
4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2,6-dimethoxyphenol
CID 171286398
1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171276033
(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730
1-[(1R)-2,2-difluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171280176

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine (CID 171287219) is 1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine is COc1ccc([C@@H](C(F)F)N2CCNCC2)cc1.
What is the InChIKey of 1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine?
The InChIKey is HXTCHNKKBWEUOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-18-11-4-2-10(3-5-11)12(13(14)15)17-8-6-16-7-9-17/h2-5,12-13,16H,6-9H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine?
1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine has a molecular weight of 256.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2-difluoro-1-(4-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 171287219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).