4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine

C16H23FN2S — CID 91362707

IUPAC4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine
SMILESCc1ccc(N2CCC(N3CCSCC3)CC2)cc1F
InChIInChI=1S/C16H23FN2S/c1-13-2-3-15(12-16(13)17)18-6-4-14(5-7-18)19-8-10-20-11-9-19/h2-3,12,14H,4-11H2,1H3
InChIKeySBYMSYKCKGHDMC-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.15
Rot. Bonds2

About 4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine

4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine (PubChem CID 91362707) has the molecular formula C16H23FN2S and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine
PubChem CID91362707
Molecular FormulaC16H23FN2S
Molecular Weight294.44 g/mol
Exact Mass294.16
IUPAC Name4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine
SMILESCc1ccc(N2CCC(N3CCSCC3)CC2)cc1F
InChIInChI=1S/C16H23FN2S/c1-13-2-3-15(12-16(13)17)18-6-4-14(5-7-18)19-8-10-20-11-9-19/h2-3,12,14H,4-11H2,1H3
InChIKeySBYMSYKCKGHDMC-UHFFFAOYSA-N
XLogP3.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine?
The IUPAC name of 4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine (CID 91362707) is 4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine is Cc1ccc(N2CCC(N3CCSCC3)CC2)cc1F.
What is the InChIKey of 4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine?
The InChIKey is SBYMSYKCKGHDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2S/c1-13-2-3-15(12-16(13)17)18-6-4-14(5-7-18)19-8-10-20-11-9-19/h2-3,12,14H,4-11H2,1H3.
What are the key properties of 4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine?
4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine has a molecular weight of 294.44 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine is sourced from PubChem (CID 91362707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).