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

C14H21FN2 — CID 82116765

IUPAC1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
SMILESCc1cc(CCCN2CCNCC2)ccc1F
InChIInChI=1S/C14H21FN2/c1-12-11-13(4-5-14(12)15)3-2-8-17-9-6-16-7-10-17/h4-5,11,16H,2-3,6-10H2,1H3
InChIKeyZFCHYJVCIAZFTK-UHFFFAOYSA-N
MW236.33 g/mol
LogP1.97
Rot. Bonds4

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

1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine (PubChem CID 82116765) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
PubChem CID82116765
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine
SMILESCc1cc(CCCN2CCNCC2)ccc1F
InChIInChI=1S/C14H21FN2/c1-12-11-13(4-5-14(12)15)3-2-8-17-9-6-16-7-10-17/h4-5,11,16H,2-3,6-10H2,1H3
InChIKeyZFCHYJVCIAZFTK-UHFFFAOYSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-bromo-4-methylphenyl)propyl]piperazine
CID 82308190
1-[3-(4-ethoxy-3-fluorophenyl)propyl]piperazine
CID 95471785
1-[3-[3-(4-fluoro-3-methylphenyl)propoxy]propyl]pyrrolidine
CID 11978616
1-[2-(4-fluoro-3-methylphenyl)ethyl]-4-methylpiperazine
CID 136575376
3-methyl-5-(3-piperazin-1-ylpropyl)-1H-indole
CID 116996532
1-(4-fluoro-3-methylphenyl)-N-methyl-N-(piperazin-1-ylmethyl)methanamine
CID 115230062
2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline
CID 117111789
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
1-[2-(2,6-difluoro-3-methylphenyl)ethyl]piperazine
CID 117353486
1-[3-(3-chlorophenyl)propyl]piperazine;dihydrochloride
CID 52984150
1-[2-(3,4-dimethylphenyl)ethyl]-1,4-diazepane
CID 82289921
1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole
CID 116997078

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine?
The IUPAC name of 1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine (CID 82116765) is 1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine?
The canonical SMILES for 1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine is Cc1cc(CCCN2CCNCC2)ccc1F.
What is the InChIKey of 1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine?
The InChIKey is ZFCHYJVCIAZFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-12-11-13(4-5-14(12)15)3-2-8-17-9-6-16-7-10-17/h4-5,11,16H,2-3,6-10H2,1H3.
What are the key properties of 1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine?
1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine has a molecular weight of 236.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoro-3-methylphenyl)propyl]piperazine is sourced from PubChem (CID 82116765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).