2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine

C18H21FN2O3S — CID 71799635

IUPAC2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine
SMILESCc1cccc(OC2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C18H21FN2O3S/c1-14-4-2-7-18(20-14)24-17-8-10-21(11-9-17)25(22,23)13-15-5-3-6-16(19)12-15/h2-7,12,17H,8-11,13H2,1H3
InChIKeyIGOOIMQRFOQOMX-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.90
Rot. Bonds5

About 2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine

2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine (PubChem CID 71799635) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine
PubChem CID71799635
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine
SMILESCc1cccc(OC2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C18H21FN2O3S/c1-14-4-2-7-18(20-14)24-17-8-10-21(11-9-17)25(22,23)13-15-5-3-6-16(19)12-15/h2-7,12,17H,8-11,13H2,1H3
InChIKeyIGOOIMQRFOQOMX-UHFFFAOYSA-N
XLogP2.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine?
The IUPAC name of 2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine (CID 71799635) is 2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine is Cc1cccc(OC2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)n1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine?
The InChIKey is IGOOIMQRFOQOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-14-4-2-7-18(20-14)24-17-8-10-21(11-9-17)25(22,23)13-15-5-3-6-16(19)12-15/h2-7,12,17H,8-11,13H2,1H3.
What are the key properties of 2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine?
2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine has a molecular weight of 364.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyridine is sourced from PubChem (CID 71799635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).