1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine

C15H22F2N2O — CID 171177753

IUPAC1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine
SMILESCOc1ccc([C@@H](CC(F)F)N2CCNCC2)c(C)c1
InChIInChI=1S/C15H22F2N2O/c1-11-9-12(20-2)3-4-13(11)14(10-15(16)17)19-7-5-18-6-8-19/h3-4,9,14-15,18H,5-8,10H2,1-2H3/t14-/m1/s1
InChIKeyFGKFBTLCNDXYGT-CQSZACIVSA-N
MW284.35 g/mol
LogP2.61
Rot. Bonds5

About 1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine

1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine (PubChem CID 171177753) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine
PubChem CID171177753
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine
SMILESCOc1ccc([C@@H](CC(F)F)N2CCNCC2)c(C)c1
InChIInChI=1S/C15H22F2N2O/c1-11-9-12(20-2)3-4-13(11)14(10-15(16)17)19-7-5-18-6-8-19/h3-4,9,14-15,18H,5-8,10H2,1-2H3/t14-/m1/s1
InChIKeyFGKFBTLCNDXYGT-CQSZACIVSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine;hydrochloride
CID 171167300
1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171309604
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
CID 171175380
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171175381
1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178562
1-[(1R)-1-(4-methoxy-2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171295224
4-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]-3-methoxyphenol
CID 171178711
1-[(1R)-1-(2-fluoro-4-methoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171286637
1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234
1-[(1S)-1-(2,4-dimethoxyphenyl)-3-methylbutyl]piperazine
CID 95493723
1-[(1R)-1-(2,6-difluoro-4-methoxyphenyl)-3,3-difluoropropyl]piperazine
CID 171178051
1-[(1S)-3,3-difluoro-1-[2-methoxy-4-(trifluoromethyl)phenyl]propyl]piperazine
CID 171181578

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine (CID 171177753) is 1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine is COc1ccc([C@@H](CC(F)F)N2CCNCC2)c(C)c1.
What is the InChIKey of 1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine?
The InChIKey is FGKFBTLCNDXYGT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-11-9-12(20-2)3-4-13(11)14(10-15(16)17)19-7-5-18-6-8-19/h3-4,9,14-15,18H,5-8,10H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine?
1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine has a molecular weight of 284.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine is sourced from PubChem (CID 171177753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).