1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine

C14H20F2N2O — CID 171175380

IUPAC1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
SMILESCOc1ccc([C@@H](CC(F)F)N2CCNCC2)cc1
InChIInChI=1S/C14H20F2N2O/c1-19-12-4-2-11(3-5-12)13(10-14(15)16)18-8-6-17-7-9-18/h2-5,13-14,17H,6-10H2,1H3/t13-/m1/s1
InChIKeyJZYGMUCEVNGZRW-CYBMUJFWSA-N
MW270.32 g/mol
LogP2.30
Rot. Bonds5

About 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine

1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine (PubChem CID 171175380) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
PubChem CID171175380
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine
SMILESCOc1ccc([C@@H](CC(F)F)N2CCNCC2)cc1
InChIInChI=1S/C14H20F2N2O/c1-19-12-4-2-11(3-5-12)13(10-14(15)16)18-8-6-17-7-9-18/h2-5,13-14,17H,6-10H2,1H3/t13-/m1/s1
InChIKeyJZYGMUCEVNGZRW-CYBMUJFWSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171175381
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171181752
1-[(1S)-3,3-difluoro-1-(4-propan-2-yloxyphenyl)propyl]piperazine;hydrochloride
CID 171180814
1-[(1S)-1-(3,5-dimethoxyphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178562
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(1R)-4,4,4-trifluoro-1-(4-methoxyphenyl)butyl]piperazine
CID 171168617
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine
CID 171177753
1-[(1S)-1-(4-ethylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171180890
1-[(1S)-3,3-difluoro-1-(4-fluoro-3-methoxyphenyl)propyl]piperazine;hydrochloride
CID 171179855
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine (CID 171175380) is 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine is COc1ccc([C@@H](CC(F)F)N2CCNCC2)cc1.
What is the InChIKey of 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine?
The InChIKey is JZYGMUCEVNGZRW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-19-12-4-2-11(3-5-12)13(10-14(15)16)18-8-6-17-7-9-18/h2-5,13-14,17H,6-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine?
1-[(1R)-3,3-difluoro-1-(4-methoxyphenyl)propyl]piperazine has a molecular weight of 270.32 g/mol, XLogP of 2.30, 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-methoxyphenyl)propyl]piperazine is sourced from PubChem (CID 171175380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).