1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride

C17H20ClFN2 — CID 154914779

IUPAC1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride
SMILESCc1cc(-c2cccc(N3CCNCC3)c2)ccc1F.Cl
InChIInChI=1S/C17H19FN2.ClH/c1-13-11-15(5-6-17(13)18)14-3-2-4-16(12-14)20-9-7-19-8-10-20;/h2-6,11-12,19H,7-10H2,1H3;1H
InChIKeyZRWGUSWOUWTGSV-UHFFFAOYSA-N
MW306.81 g/mol
LogP3.63
Rot. Bonds2

About 1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride

1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride (PubChem CID 154914779) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride
PubChem CID154914779
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride
SMILESCc1cc(-c2cccc(N3CCNCC3)c2)ccc1F.Cl
InChIInChI=1S/C17H19FN2.ClH/c1-13-11-15(5-6-17(13)18)14-3-2-4-16(12-14)20-9-7-19-8-10-20;/h2-6,11-12,19H,7-10H2,1H3;1H
InChIKeyZRWGUSWOUWTGSV-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997
3-methyl-5-(3-piperazin-1-ylphenyl)pyridin-2-amine
CID 72877578
1-(3,4-difluorophenyl)piperazine
CID 2783122
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
1-(3-pyridin-3-ylphenyl)piperazine
CID 150431219
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine
CID 96668438
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
CID 131731751
azepan-1-yl-[4-(3-piperazin-1-ylphenyl)phenyl]methanone;hydrochloride
CID 154909425
1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]piperazine
CID 31074314
1-[3-(4-chlorophenyl)phenyl]pyrrolidine
CID 168512665

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride?
The IUPAC name of 1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride (CID 154914779) is 1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride?
The canonical SMILES for 1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride is Cc1cc(-c2cccc(N3CCNCC3)c2)ccc1F.Cl.
What is the InChIKey of 1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride?
The InChIKey is ZRWGUSWOUWTGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2.ClH/c1-13-11-15(5-6-17(13)18)14-3-2-4-16(12-14)20-9-7-19-8-10-20;/h2-6,11-12,19H,7-10H2,1H3;1H.
What are the key properties of 1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride?
1-[3-(4-fluoro-3-methylphenyl)phenyl]piperazine;hydrochloride has a molecular weight of 306.81 g/mol, XLogP of 3.63, 2 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)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 154914779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).