4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine

C17H20FN3O4S — CID 121161692

IUPAC4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine
SMILESCOc1nccc(OC2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C17H20FN3O4S/c1-24-17-19-8-5-16(20-17)25-15-6-9-21(10-7-15)26(22,23)12-13-3-2-4-14(18)11-13/h2-5,8,11,15H,6-7,9-10,12H2,1H3
InChIKeyWUPRUGKYNLKVPO-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.00
Rot. Bonds6

About 4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine

4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine (PubChem CID 121161692) has the molecular formula C17H20FN3O4S and a molecular weight of 381.43 g/mol. Its IUPAC name is 4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine.

Molecular Properties

Compound Name4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine
PubChem CID121161692
Molecular FormulaC17H20FN3O4S
Molecular Weight381.43 g/mol
Exact Mass381.12
IUPAC Name4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine
SMILESCOc1nccc(OC2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C17H20FN3O4S/c1-24-17-19-8-5-16(20-17)25-15-6-9-21(10-7-15)26(22,23)12-13-3-2-4-14(18)11-13/h2-5,8,11,15H,6-7,9-10,12H2,1H3
InChIKeyWUPRUGKYNLKVPO-UHFFFAOYSA-N
XLogP2.00
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 44118181
CID 44118181
CID 42474121
CID 42474121
CID 21630671
CID 21630671
CID 60301658
CID 60301658
CID 129525050
CID 129525050
CID 129526072
CID 129526072
CID 17920296
CID 17920296
CID 17920298
CID 17920298
CID 17920301
CID 17920301
CID 58166131
CID 58166131
CID 74974776
CID 74974776
CID 140165543
CID 140165543

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine?
The IUPAC name of 4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine (CID 121161692) is 4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine.
What is the SMILES notation for 4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine?
The canonical SMILES for 4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine is COc1nccc(OC2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)n1.
What is the InChIKey of 4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine?
The InChIKey is WUPRUGKYNLKVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4S/c1-24-17-19-8-5-16(20-17)25-15-6-9-21(10-7-15)26(22,23)12-13-3-2-4-14(18)11-13/h2-5,8,11,15H,6-7,9-10,12H2,1H3.
What are the key properties of 4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine?
4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine has a molecular weight of 381.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-2-methoxypyrimidine is sourced from PubChem (CID 121161692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).