1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine

C14H21FN2 — CID 82291713

IUPAC1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine
SMILESCc1cc(C(C)CN2CCNCC2)ccc1F
InChIInChI=1S/C14H21FN2/c1-11-9-13(3-4-14(11)15)12(2)10-17-7-5-16-6-8-17/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyVCJDSDXGXXSEEA-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.14
Rot. Bonds3

About 1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine

1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine (PubChem CID 82291713) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine
PubChem CID82291713
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine
SMILESCc1cc(C(C)CN2CCNCC2)ccc1F
InChIInChI=1S/C14H21FN2/c1-11-9-13(3-4-14(11)15)12(2)10-17-7-5-16-6-8-17/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyVCJDSDXGXXSEEA-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluoro-3-methylphenyl)sulfanylpropyl]piperazine
CID 117035708
1-[2-(4-propan-2-ylphenyl)propyl]piperazine
CID 82295556
1-[2-(3-methylphenyl)propyl]piperazine
CID 82509212
1-[2-(2,5-difluorophenyl)propyl]piperazine
CID 82292755
1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride
CID 120834349
1-[(1R)-1-(4-fluoro-3-methylphenyl)-4-methylpentyl]piperazine
CID 171310881
2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine
CID 82510778
1-[(1R)-3-fluoro-1-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 171169540
1-[(1R)-1-(4-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304499
1-[2-(4-ethylphenyl)propyl]piperazine
CID 82289918
2-(4-fluoro-3-methylphenyl)-N,N-dimethyl-2-piperazin-1-ylethanamine
CID 82304187

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine?
The IUPAC name of 1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine (CID 82291713) is 1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine?
The canonical SMILES for 1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine is Cc1cc(C(C)CN2CCNCC2)ccc1F.
What is the InChIKey of 1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine?
The InChIKey is VCJDSDXGXXSEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-9-13(3-4-14(11)15)12(2)10-17-7-5-16-6-8-17/h3-4,9,12,16H,5-8,10H2,1-2H3.
What are the key properties of 1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine?
1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine has a molecular weight of 236.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine is sourced from PubChem (CID 82291713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).