4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine

C16H23FN2S — CID 171335538

IUPAC4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine
SMILESFc1ccccc1CN1CCC(N2CCSCC2)CC1
InChIInChI=1S/C16H23FN2S/c17-16-4-2-1-3-14(16)13-18-7-5-15(6-8-18)19-9-11-20-12-10-19/h1-4,15H,5-13H2
InChIKeyPULJKULGRMZTAC-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.84
Rot. Bonds3

About 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine

4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine (PubChem CID 171335538) has the molecular formula C16H23FN2S and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine
PubChem CID171335538
Molecular FormulaC16H23FN2S
Molecular Weight294.44 g/mol
Exact Mass294.16
IUPAC Name4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine
SMILESFc1ccccc1CN1CCC(N2CCSCC2)CC1
InChIInChI=1S/C16H23FN2S/c17-16-4-2-1-3-14(16)13-18-7-5-15(6-8-18)19-9-11-20-12-10-19/h1-4,15H,5-13H2
InChIKeyPULJKULGRMZTAC-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-4-[(2-fluorophenyl)methyl]piperazine
CID 740956
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357912
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
2-[(2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234263
4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]thiomorpholine
CID 171326906
1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide
CID 91814267
[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 42257335
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]morpholine
CID 172905616
[1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 56742293
N-benzyl-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754214
1-[(2-fluorophenyl)methyl]-4-(2-methylcyclohexyl)piperazine
CID 3501087

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine?
The IUPAC name of 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine (CID 171335538) is 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine is Fc1ccccc1CN1CCC(N2CCSCC2)CC1.
What is the InChIKey of 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine?
The InChIKey is PULJKULGRMZTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2S/c17-16-4-2-1-3-14(16)13-18-7-5-15(6-8-18)19-9-11-20-12-10-19/h1-4,15H,5-13H2.
What are the key properties of 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine?
4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine has a molecular weight of 294.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine is sourced from PubChem (CID 171335538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).