1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine

C14H21FN2 — CID 82510778

IUPAC1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine
SMILESCc1ccc(F)cc1C(C)CN1CCNCC1
InChIInChI=1S/C14H21FN2/c1-11-3-4-13(15)9-14(11)12(2)10-17-7-5-16-6-8-17/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyRNZYRPJHHRMKST-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.14
Rot. Bonds3

About 1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine

1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine (PubChem CID 82510778) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine
PubChem CID82510778
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine
SMILESCc1ccc(F)cc1C(C)CN1CCNCC1
InChIInChI=1S/C14H21FN2/c1-11-3-4-13(15)9-14(11)12(2)10-17-7-5-16-6-8-17/h3-4,9,12,16H,5-8,10H2,1-2H3
InChIKeyRNZYRPJHHRMKST-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-(2,5-difluorophenyl)propyl]piperazine
CID 82292755
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211
1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82291713
1-[(1R)-1-(5-fluoro-2-methylphenyl)-2-methylbutyl]piperazine
CID 171304510
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
1-[2-(4-fluorophenyl)propyl]-1,4-diazepane;hydrochloride
CID 120834349
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
1-[(1S)-4,4,4-trifluoro-1-(5-fluoro-2-methylphenyl)butyl]piperazine
CID 171164341
1-[(1R)-4,4,4-trifluoro-1-(5-fluoro-2-methylphenyl)butyl]piperazine
CID 171169673
1-(5-fluoro-2-methylphenyl)sulfanylpiperazine
CID 143592244
(3S)-3-(5-fluoro-2-methylphenyl)-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171174303
1-[(1S)-4,4,4-trifluoro-1-(5-fluoro-2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171302665

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine?
The IUPAC name of 1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine (CID 82510778) is 1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine?
The canonical SMILES for 1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine is Cc1ccc(F)cc1C(C)CN1CCNCC1.
What is the InChIKey of 1-[2-(5-fluoro-2-methylphenyl)propyl]piperazine?
The InChIKey is RNZYRPJHHRMKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-3-4-13(15)9-14(11)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-(5-fluoro-2-methylphenyl)propyl]piperazine?
1-[2-(5-fluoro-2-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-(5-fluoro-2-methylphenyl)propyl]piperazine is sourced from PubChem (CID 82510778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).