5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine

C17H20FN3O — CID 139028947

IUPAC5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine
SMILESCC(c1ccccc1)N1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H20FN3O/c1-13(14-5-3-2-4-6-14)21-9-7-16(8-10-21)22-17-19-11-15(18)12-20-17/h2-6,11-13,16H,7-10H2,1H3
InChIKeyAWHYCCGCZKVWOZ-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.22
Rot. Bonds4

About 5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine

5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine (PubChem CID 139028947) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine
PubChem CID139028947
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine
SMILESCC(c1ccccc1)N1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H20FN3O/c1-13(14-5-3-2-4-6-14)21-9-7-16(8-10-21)22-17-19-11-15(18)12-20-17/h2-6,11-13,16H,7-10H2,1H3
InChIKeyAWHYCCGCZKVWOZ-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine with MolForge

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Related Compounds

1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 139023328
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
1-benzhydryl-3-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]urea
CID 90634472
6-fluoro-N-[[5-methyl-6-[1-(1-phenylethyl)piperidin-4-yl]oxy-3-pyridinyl]sulfanyl]pyridin-2-amine
CID 146439271
[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 139027232
5-fluoro-2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxypyrimidine
CID 139028966
2-[3-bromo-2,6-difluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonyl-1,3-thiazole
CID 175097552
2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine
CID 146078517
5-fluoro-2-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 126453075
4-[[3-chloro-2-fluoro-4-[1-[(1R)-1-phenylethyl]piperidin-4-yl]oxyphenyl]sulfonylmethyl]-1,3-thiazole
CID 160758548
2-(azetidin-3-yloxy)-5-fluoropyrimidine
CID 67958385

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine?
The IUPAC name of 5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine (CID 139028947) is 5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine.
What is the SMILES notation for 5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine?
The canonical SMILES for 5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine is CC(c1ccccc1)N1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine?
The InChIKey is AWHYCCGCZKVWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-13(14-5-3-2-4-6-14)21-9-7-16(8-10-21)22-17-19-11-15(18)12-20-17/h2-6,11-13,16H,7-10H2,1H3.
What are the key properties of 5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine?
5-fluoro-2-[1-(1-phenylethyl)piperidin-4-yl]oxypyrimidine has a molecular weight of 301.37 g/mol, XLogP of 3.22, 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-(1-phenylethyl)piperidin-4-yl]oxypyrimidine is sourced from PubChem (CID 139028947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).