4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine

C18H27FN2O3S — CID 86819910

IUPAC4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine
SMILESCc1cc(F)ccc1CS(=O)(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C18H27FN2O3S/c1-15-12-18(19)3-2-17(15)14-25(22,23)21-6-4-16(5-7-21)13-20-8-10-24-11-9-20/h2-3,12,16H,4-11,13-14H2,1H3
InChIKeyWKHGFKLFTHDJCO-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.01
Rot. Bonds5

About 4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine

4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine (PubChem CID 86819910) has the molecular formula C18H27FN2O3S and a molecular weight of 370.49 g/mol. Its IUPAC name is 4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine
PubChem CID86819910
Molecular FormulaC18H27FN2O3S
Molecular Weight370.49 g/mol
Exact Mass370.17
IUPAC Name4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine
SMILESCc1cc(F)ccc1CS(=O)(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C18H27FN2O3S/c1-15-12-18(19)3-2-17(15)14-25(22,23)21-6-4-16(5-7-21)13-20-8-10-24-11-9-20/h2-3,12,16H,4-11,13-14H2,1H3
InChIKeyWKHGFKLFTHDJCO-UHFFFAOYSA-N
XLogP2.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine (CID 86819910) is 4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine is Cc1cc(F)ccc1CS(=O)(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine?
The InChIKey is WKHGFKLFTHDJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O3S/c1-15-12-18(19)3-2-17(15)14-25(22,23)21-6-4-16(5-7-21)13-20-8-10-24-11-9-20/h2-3,12,16H,4-11,13-14H2,1H3.
What are the key properties of 4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine?
4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine has a molecular weight of 370.49 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 86819910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).