5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine

C17H20FN3O — CID 139028966

IUPAC5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine
SMILESCc1cccc(CN2CCC(Oc3ncc(F)cn3)CC2)c1
InChIInChI=1S/C17H20FN3O/c1-13-3-2-4-14(9-13)12-21-7-5-16(6-8-21)22-17-19-10-15(18)11-20-17/h2-4,9-11,16H,5-8,12H2,1H3
InChIKeyJGBKABFRGLIJTE-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.97
Rot. Bonds4

About 5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine

5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine (PubChem CID 139028966) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine
PubChem CID139028966
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine
SMILESCc1cccc(CN2CCC(Oc3ncc(F)cn3)CC2)c1
InChIInChI=1S/C17H20FN3O/c1-13-3-2-4-14(9-13)12-21-7-5-16(6-8-21)22-17-19-10-15(18)11-20-17/h2-4,9-11,16H,5-8,12H2,1H3
InChIKeyJGBKABFRGLIJTE-UHFFFAOYSA-N
XLogP2.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxy-2,5-dimethylpyrazine
CID 163351279
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
2-(methoxymethyl)-5-[[4-(3-methylphenoxy)piperidin-1-yl]methyl]pyrimidine
CID 56901094
1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 139023328
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
N-(2,5-dimethylphenyl)-1-[(3-fluorophenyl)methyl]piperidin-4-amine
CID 3665412
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
CID 39308220
2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983429
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163350527
3-[[4-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethylaniline
CID 136537189
5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine
CID 139028947

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine?
The IUPAC name of 5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine (CID 139028966) is 5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine.
What is the SMILES notation for 5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine?
The canonical SMILES for 5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine is Cc1cccc(CN2CCC(Oc3ncc(F)cn3)CC2)c1.
What is the InChIKey of 5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine?
The InChIKey is JGBKABFRGLIJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-13-3-2-4-14(9-13)12-21-7-5-16(6-8-21)22-17-19-10-15(18)11-20-17/h2-4,9-11,16H,5-8,12H2,1H3.
What are the key properties of 5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine?
5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine has a molecular weight of 301.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine is sourced from PubChem (CID 139028966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).