2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride

C17H21ClFN3 — CID 120768387

IUPAC2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
SMILESCc1ccc(CN2CCNCC2c2cccc(F)c2)cn1.Cl
InChIInChI=1S/C17H20FN3.ClH/c1-13-5-6-14(10-20-13)12-21-8-7-19-11-17(21)15-3-2-4-16(18)9-15;/h2-6,9-10,17,19H,7-8,11-12H2,1H3;1H
InChIKeyXXWVUFXVHXPITC-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.10
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride

2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride (PubChem CID 120768387) has the molecular formula C17H21ClFN3 and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
PubChem CID120768387
Molecular FormulaC17H21ClFN3
Molecular Weight321.83 g/mol
Exact Mass321.14
IUPAC Name2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
SMILESCc1ccc(CN2CCNCC2c2cccc(F)c2)cn1.Cl
InChIInChI=1S/C17H20FN3.ClH/c1-13-5-6-14(10-20-13)12-21-8-7-19-11-17(21)15-3-2-4-16(18)9-15;/h2-6,9-10,17,19H,7-8,11-12H2,1H3;1H
InChIKeyXXWVUFXVHXPITC-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-(3-chlorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 120780051
N-ethyl-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-methylpyridin-2-amine;hydrochloride
CID 120846546
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120768443
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 120768428
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120846541
2-(3-fluorophenyl)-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 120756562
2-(3-fluorophenyl)-1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]piperazine;hydrochloride
CID 120768669
ethyl 2-[4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]phenoxy]acetate;hydrochloride
CID 120768431
2-(3-fluorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120768485
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride (CID 120768387) is 2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride is Cc1ccc(CN2CCNCC2c2cccc(F)c2)cn1.Cl.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride?
The InChIKey is XXWVUFXVHXPITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3.ClH/c1-13-5-6-14(10-20-13)12-21-8-7-19-11-17(21)15-3-2-4-16(18)9-15;/h2-6,9-10,17,19H,7-8,11-12H2,1H3;1H.
What are the key properties of 2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride?
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;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 2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 120768387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).