2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine

C17H20FN3O — CID 141073803

IUPAC2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine
SMILESFc1ccccc1COC1CCN(Cc2cnccn2)CC1
InChIInChI=1S/C17H20FN3O/c18-17-4-2-1-3-14(17)13-22-16-5-9-21(10-6-16)12-15-11-19-7-8-20-15/h1-4,7-8,11,16H,5-6,9-10,12-13H2
InChIKeyNHNNIIGPOYLZAG-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.80
Rot. Bonds5

About 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine

2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine (PubChem CID 141073803) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine
PubChem CID141073803
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC Name2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine
SMILESFc1ccccc1COC1CCN(Cc2cnccn2)CC1
InChIInChI=1S/C17H20FN3O/c18-17-4-2-1-3-14(17)13-22-16-5-9-21(10-6-16)12-15-11-19-7-8-20-15/h1-4,7-8,11,16H,5-6,9-10,12-13H2
InChIKeyNHNNIIGPOYLZAG-UHFFFAOYSA-N
XLogP2.80
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[(4-Fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine
CID 19807296
2-(4-Fluorophenyl)-4-(2-pyridin-4-ylethyl)morpholine
CID 53517064
2-[(3-Fluorophenyl)methyl]-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyrazine
CID 110253646
4-[(2-Fluoro-3-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 118740174
3-[({1-[(2E)-3-(4-fluorophenyl)-2-propen-1-yl]-4-piperidinyl}oxy)methyl]pyridine
CID 56891941
2-(2-Chlorophenyl)-5-methyl-4-[(5-methylpyrazin-2-yl)methyl]morpholine
CID 72018685
4-(Cyclopropylmethyl)-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine
CID 127250989
3-Bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2(1H)-one
CID 22050158
3-chloro-4-[(2,4-difluorobenzyl)oxy]-6-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2(1H)-one
CID 22050352
2-[[4-[(2-Fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
CID 22248471
3-Chloro-2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5-[(2-methylpropan-2-yl)oxy]pyrazine
CID 22248496
2-[[4-[(2-Fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine
CID 22248527

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine?
The IUPAC name of 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine (CID 141073803) is 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine is Fc1ccccc1COC1CCN(Cc2cnccn2)CC1.
What is the InChIKey of 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine?
The InChIKey is NHNNIIGPOYLZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-17-4-2-1-3-14(17)13-22-16-5-9-21(10-6-16)12-15-11-19-7-8-20-15/h1-4,7-8,11,16H,5-6,9-10,12-13H2.
What are the key properties of 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine?
2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine has a molecular weight of 301.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]pyrazine is sourced from PubChem (CID 141073803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).