2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine

C16H18FN3O3S — CID 90558927

IUPAC2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C16H18FN3O3S/c17-14-4-2-13(3-5-14)12-24(21,22)20-10-6-15(7-11-20)23-16-18-8-1-9-19-16/h1-5,8-9,15H,6-7,10-12H2
InChIKeyLGKXPGVCVFEZOT-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.99
Rot. Bonds5

About 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine

2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine (PubChem CID 90558927) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine
PubChem CID90558927
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine
SMILESO=S(=O)(Cc1ccc(F)cc1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C16H18FN3O3S/c17-14-4-2-13(3-5-14)12-24(21,22)20-10-6-15(7-11-20)23-16-18-8-1-9-19-16/h1-5,8-9,15H,6-7,10-12H2
InChIKeyLGKXPGVCVFEZOT-UHFFFAOYSA-N
XLogP1.99
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyridine
CID 90566210
2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122257583
1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
CID 71782918
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
1-[(4-fluorophenyl)methylsulfonyl]-4-piperidin-1-ylpiperidine
CID 110868518
1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 71781160
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanamine
CID 63596216
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol
CID 103834665
3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine
CID 155801188
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 55529221
1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
CID 90493928
8-[1-[(4-chlorophenyl)methylsulfonyl]pyrrolidin-3-yl]oxyquinoline
CID 121157270

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine?
The IUPAC name of 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine (CID 90558927) is 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine is O=S(=O)(Cc1ccc(F)cc1)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine?
The InChIKey is LGKXPGVCVFEZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c17-14-4-2-13(3-5-14)12-24(21,22)20-10-6-15(7-11-20)23-16-18-8-1-9-19-16/h1-5,8-9,15H,6-7,10-12H2.
What are the key properties of 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine?
2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine has a molecular weight of 351.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine is sourced from PubChem (CID 90558927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).