3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine

C18H22FN3O — CID 163351279

IUPAC3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(OC2CCN(Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C18H22FN3O/c1-13-11-20-14(2)18(21-13)23-17-6-8-22(9-7-17)12-15-4-3-5-16(19)10-15/h3-5,10-11,17H,6-9,12H2,1-2H3
InChIKeyQMZITFWZXLMCHQ-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.28
Rot. Bonds4

About 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine

3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine (PubChem CID 163351279) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine
PubChem CID163351279
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(OC2CCN(Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C18H22FN3O/c1-13-11-20-14(2)18(21-13)23-17-6-8-22(9-7-17)12-15-4-3-5-16(19)10-15/h3-5,10-11,17H,6-9,12H2,1-2H3
InChIKeyQMZITFWZXLMCHQ-UHFFFAOYSA-N
XLogP3.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine
CID 139028966
2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692849
2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-N-propan-2-ylacetamide
CID 163350707
3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline
CID 136537189
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62593443
N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine
CID 3665412
(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 129393398
1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495312
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62593105
5-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56900861
[4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 24790458
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The IUPAC name of 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine (CID 163351279) is 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The canonical SMILES for 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine is Cc1cnc(C)c(OC2CCN(Cc3cccc(F)c3)CC2)n1.
What is the InChIKey of 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine?
The InChIKey is QMZITFWZXLMCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-13-11-20-14(2)18(21-13)23-17-6-8-22(9-7-17)12-15-4-3-5-16(19)10-15/h3-5,10-11,17H,6-9,12H2,1-2H3.
What are the key properties of 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine?
3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine has a molecular weight of 315.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine is sourced from PubChem (CID 163351279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).