1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine

C14H20F2N2 — CID 171169540

IUPAC1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine
SMILESCc1cc([C@@H](CCF)N2CCNCC2)ccc1F
InChIInChI=1S/C14H20F2N2/c1-11-10-12(2-3-13(11)16)14(4-5-15)18-8-6-17-7-9-18/h2-3,10,14,17H,4-9H2,1H3/t14-/m1/s1
InChIKeyPYIILMSEFWPPSA-CQSZACIVSA-N
MW254.32 g/mol
LogP2.44
Rot. Bonds4

About 1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine

1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine (PubChem CID 171169540) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine
PubChem CID171169540
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine
SMILESCc1cc([C@@H](CCF)N2CCNCC2)ccc1F
InChIInChI=1S/C14H20F2N2/c1-11-10-12(2-3-13(11)16)14(4-5-15)18-8-6-17-7-9-18/h2-3,10,14,17H,4-9H2,1H3/t14-/m1/s1
InChIKeyPYIILMSEFWPPSA-CQSZACIVSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
CID 171310881
2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
(4R)-4-(4-fluoro-3-methylphenyl)-4-piperazin-1-ylbutan-1-ol;hydrochloride
CID 171173568
2-(4-fluoro-3-methylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82304187
1-[(1S)-1-(4-bromo-3-fluorophenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163574
1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine
CID 171171813
1-[(1S)-1-(4-fluoro-3-methylphenyl)hept-6-enyl]piperazine;hydrochloride
CID 171164195
1-[(1S)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine
CID 171164913
1-[(1R)-3-fluoro-1-(3,4,5-trifluorophenyl)propyl]piperazine
CID 171170267
1-[(1S)-1-(3,4-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181724
1-[(1S)-3-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]propyl]piperazine
CID 171165765
1-[(1S)-1-(3,5-difluorophenyl)-3-fluoropropyl]piperazine
CID 171164456

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine (CID 171169540) is 1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine is Cc1cc([C@@H](CCF)N2CCNCC2)ccc1F.
What is the InChIKey of 1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine?
The InChIKey is PYIILMSEFWPPSA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-11-10-12(2-3-13(11)16)14(4-5-15)18-8-6-17-7-9-18/h2-3,10,14,17H,4-9H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine?
1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine has a molecular weight of 254.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine is sourced from PubChem (CID 171169540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).