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

C17H23FN2OS — CID 163357912

IUPAC[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(Cc2ccccc2F)CC1)N1CCSCC1
InChIInChI=1S/C17H23FN2OS/c18-16-4-2-1-3-15(16)13-19-7-5-14(6-8-19)17(21)20-9-11-22-12-10-20/h1-4,14H,5-13H2
InChIKeyIBMHMGYCLXZGRA-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.61
Rot. Bonds3

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

[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 163357912) has the molecular formula C17H23FN2OS and a molecular weight of 322.45 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID163357912
Molecular FormulaC17H23FN2OS
Molecular Weight322.45 g/mol
Exact Mass322.15
IUPAC Name[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(Cc2ccccc2F)CC1)N1CCSCC1
InChIInChI=1S/C17H23FN2OS/c18-16-4-2-1-3-15(16)13-19-7-5-14(6-8-19)17(21)20-9-11-22-12-10-20/h1-4,14H,5-13H2
InChIKeyIBMHMGYCLXZGRA-UHFFFAOYSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(oxan-4-yl)methanone
CID 113074079
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078179
4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine
CID 171335538
[(3S)-1,1-dioxothiolan-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 95568602
[1-(pyridin-2-ylmethyl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357857
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 44828315
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 2903659
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone (CID 163357912) is [1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone is O=C(C1CCN(Cc2ccccc2F)CC1)N1CCSCC1.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is IBMHMGYCLXZGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2OS/c18-16-4-2-1-3-15(16)13-19-7-5-14(6-8-19)17(21)20-9-11-22-12-10-20/h1-4,14H,5-13H2.
What are the key properties of [1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone?
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 322.45 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 163357912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).