3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine

C17H22FN3O — CID 141073788

IUPAC3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine
SMILESFc1cccc(OCC2CCN(CC3=NC=CNC3)CC2)c1
InChIInChI=1S/C17H22FN3O/c18-15-2-1-3-17(10-15)22-13-14-4-8-21(9-5-14)12-16-11-19-6-7-20-16/h1-3,6-7,10,14,19H,4-5,8-9,11-13H2
InChIKeyIYXWTICBIDRKRP-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.43
Rot. Bonds5

About 3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine

3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine (PubChem CID 141073788) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine.

Molecular Properties

Compound Name3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine
PubChem CID141073788
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine
SMILESFc1cccc(OCC2CCN(CC3=NC=CNC3)CC2)c1
InChIInChI=1S/C17H22FN3O/c18-15-2-1-3-17(10-15)22-13-14-4-8-21(9-5-14)12-16-11-19-6-7-20-16/h1-3,6-7,10,14,19H,4-5,8-9,11-13H2
InChIKeyIYXWTICBIDRKRP-UHFFFAOYSA-N
XLogP2.43
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine
CID 141073783
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
3-[(3-fluorophenoxy)methyl]cyclobutan-1-one
CID 121208144
(2R)-2-[(3-fluorophenoxy)methyl]-1-methylpyrrolidine
CID 22857692
3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol
CID 165429389
4-[(3-iodophenoxy)methyl]-1-(2,2,2-trifluoroethyl)piperidine;hydrochloride
CID 165429386
4-[[3-fluoro-4-(3-fluorophenyl)phenoxy]methyl]-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine
CID 141382172
[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 95726991
3-[3-[[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
CID 172561262

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine?
The IUPAC name of 3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine (CID 141073788) is 3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine.
What is the SMILES notation for 3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine?
The canonical SMILES for 3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine is Fc1cccc(OCC2CCN(CC3=NC=CNC3)CC2)c1.
What is the InChIKey of 3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine?
The InChIKey is IYXWTICBIDRKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c18-15-2-1-3-17(10-15)22-13-14-4-8-21(9-5-14)12-16-11-19-6-7-20-16/h1-3,6-7,10,14,19H,4-5,8-9,11-13H2.
What are the key properties of 3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine?
3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine has a molecular weight of 303.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1,2-dihydropyrazine is sourced from PubChem (CID 141073788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).