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

C17H23FN2OS — CID 11688373

IUPAC[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCc1ccc(N2CCC(C(=O)N3CCSCC3)CC2)cc1F
InChIInChI=1S/C17H23FN2OS/c1-13-2-3-15(12-16(13)18)19-6-4-14(5-7-19)17(21)20-8-10-22-11-9-20/h2-3,12,14H,4-11H2,1H3
InChIKeyBBVCPBUWASMVBQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.93
Rot. Bonds2

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

[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 11688373) has the molecular formula C17H23FN2OS and a molecular weight of 322.45 g/mol. Its IUPAC name is [1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID11688373
Molecular FormulaC17H23FN2OS
Molecular Weight322.45 g/mol
Exact Mass322.15
IUPAC Name[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCc1ccc(N2CCC(C(=O)N3CCSCC3)CC2)cc1F
InChIInChI=1S/C17H23FN2OS/c1-13-2-3-15(12-16(13)18)19-6-4-14(5-7-19)17(21)20-8-10-22-11-9-20/h2-3,12,14H,4-11H2,1H3
InChIKeyBBVCPBUWASMVBQ-UHFFFAOYSA-N
XLogP2.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine
CID 91362707
5-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 163356288
[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 165432476
[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491417
methyl 1-(4-fluoro-3-methylphenyl)piperidine-4-carboxylate
CID 59023366
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357912
[1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol
CID 64865831
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357788
[1-(3-chloro-4-fluorophenyl)piperidin-4-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 11257536
ethane;methyl 1-(3,4-difluorophenyl)piperidine-4-carboxylate
CID 144968521
1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine
CID 155276373

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone (CID 11688373) is [1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone is Cc1ccc(N2CCC(C(=O)N3CCSCC3)CC2)cc1F.
What is the InChIKey of [1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is BBVCPBUWASMVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2OS/c1-13-2-3-15(12-16(13)18)19-6-4-14(5-7-19)17(21)20-8-10-22-11-9-20/h2-3,12,14H,4-11H2,1H3.
What are the key properties of [1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 322.45 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-4-methylphenyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 11688373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).