1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride

C17H21ClFN3 — CID 120768241

IUPAC1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCc1ccc(F)cc1CN1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C17H20FN3.ClH/c1-13-4-5-16(18)9-15(13)12-21-8-7-20-11-17(21)14-3-2-6-19-10-14;/h2-6,9-10,17,20H,7-8,11-12H2,1H3;1H
InChIKeyMHVSLDQYQRINTA-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.10
Rot. Bonds3

About 1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride

1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120768241) has the molecular formula C17H21ClFN3 and a molecular weight of 321.83 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120768241
Molecular FormulaC17H21ClFN3
Molecular Weight321.83 g/mol
Exact Mass321.14
IUPAC Name1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCc1ccc(F)cc1CN1CCNCC1c1cccnc1.Cl
InChIInChI=1S/C17H20FN3.ClH/c1-13-4-5-16(18)9-15(13)12-21-8-7-20-11-17(21)14-3-2-6-19-10-14;/h2-6,9-10,17,20H,7-8,11-12H2,1H3;1H
InChIKeyMHVSLDQYQRINTA-UHFFFAOYSA-N
XLogP3.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
1-[(2,4-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768082
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754788
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094
1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767890
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
5-methyl-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;dihydrochloride
CID 120754848
1-[2,4,6-trimethyl-3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]phenyl]ethanone;hydrochloride
CID 120755320
1-[[2-(difluoromethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120754669
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride (CID 120768241) is 1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride is Cc1ccc(F)cc1CN1CCNCC1c1cccnc1.Cl.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is MHVSLDQYQRINTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3.ClH/c1-13-4-5-16(18)9-15(13)12-21-8-7-20-11-17(21)14-3-2-6-19-10-14;/h2-6,9-10,17,20H,7-8,11-12H2,1H3;1H.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 321.83 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120768241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).