2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine

C23H24FN3 — CID 161026783

IUPAC2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine
SMILESFc1ccc(-c2cncc(CC3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C23H24FN3/c24-21-8-6-20(7-9-21)23-16-25-15-22(26-23)14-18-10-12-27(13-11-18)17-19-4-2-1-3-5-19/h1-9,15-16,18H,10-14,17H2
InChIKeyTZBWQLDEAVSFPC-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.74
Rot. Bonds5

About 2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine

2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine (PubChem CID 161026783) has the molecular formula C23H24FN3 and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine
PubChem CID161026783
Molecular FormulaC23H24FN3
Molecular Weight361.46 g/mol
Exact Mass361.20
IUPAC Name2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine
SMILESFc1ccc(-c2cncc(CC3CCN(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C23H24FN3/c24-21-8-6-20(7-9-21)23-16-25-15-22(26-23)14-18-10-12-27(13-11-18)17-19-4-2-1-3-5-19/h1-9,15-16,18H,10-14,17H2
InChIKeyTZBWQLDEAVSFPC-UHFFFAOYSA-N
XLogP4.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine
CID 10949178
1-benzyl-4-(1H-imidazol-5-ylmethyl)piperidine
CID 11327520
2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine
CID 110100532
1-benzyl-4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 71321687
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 42557787
4-[(1-benzylpiperidin-4-yl)methyl]-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
CID 110099477
1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110255816
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
(4-benzylpiperidin-1-yl)-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38151794
1-[(4-fluorophenyl)methyl]-2-[[4-[(5-methyl-3-pyridinyl)methyl]piperidin-1-yl]methyl]indole
CID 141295506
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
4-benzyl-1-[[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine
CID 162364883

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine (CID 161026783) is 2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine is Fc1ccc(-c2cncc(CC3CCN(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine?
The InChIKey is TZBWQLDEAVSFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3/c24-21-8-6-20(7-9-21)23-16-25-15-22(26-23)14-18-10-12-27(13-11-18)17-19-4-2-1-3-5-19/h1-9,15-16,18H,10-14,17H2.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine?
2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine has a molecular weight of 361.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyrazine is sourced from PubChem (CID 161026783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).