4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine

C17H23FN2S — CID 69138154

IUPAC4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine
SMILESCC1(C)CN([C@@H]2CC(c3ccc(F)cc3)=CCN2)CCS1
InChIInChI=1S/C17H23FN2S/c1-17(2)12-20(9-10-21-17)16-11-14(7-8-19-16)13-3-5-15(18)6-4-13/h3-7,16,19H,8-12H2,1-2H3/t16-/m1/s1
InChIKeyGRMOTBGADOHETN-MRXNPFEDSA-N
MW306.45 g/mol
LogP3.36
Rot. Bonds2

About 4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine

4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine (PubChem CID 69138154) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine.

Molecular Properties

Compound Name4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine
PubChem CID69138154
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC Name4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine
SMILESCC1(C)CN([C@@H]2CC(c3ccc(F)cc3)=CCN2)CCS1
InChIInChI=1S/C17H23FN2S/c1-17(2)12-20(9-10-21-17)16-11-14(7-8-19-16)13-3-5-15(18)6-4-13/h3-7,16,19H,8-12H2,1-2H3/t16-/m1/s1
InChIKeyGRMOTBGADOHETN-MRXNPFEDSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine with MolForge

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Related Compounds

N-[2-[bis(4-fluorophenyl)methylsulfanyl]ethyl]-1-(2,2-dimethylpropyl)piperidin-4-amine
CID 142590744
Propyl 4-(phenethylcarbamothioyl)piperazine-1-carbodithioate
CID 118725407
Butyl 4-(phenethylcarbamothioyl)piperazine-1-carbodithioate
CID 118725412
Hexyl 4-(phenethylcarbamothioyl)piperazine-1-carbodithioate
CID 118725417
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]thiomorpholine-4-carboxamide
CID 71862958
2-(4-Fluorophenyl)thiomorpholine
CID 3696518
4-[(2-Fluorophenyl)methylsulfanyl]piperidine
CID 22248095
N-[2-(1,3-dithian-2-ylidene)-2-(4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 23038986
2-(2,3,4-Trifluorophenyl)thiomorpholine
CID 67103593
2-(2-Fluorophenyl)-2-propylthiomorpholine
CID 67818605
3-Fluoro-2-phenyl-2-propylthiomorpholine
CID 67818614
4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine
CID 69138155

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine?
The IUPAC name of 4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine (CID 69138154) is 4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine.
What is the SMILES notation for 4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine?
The canonical SMILES for 4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine is CC1(C)CN([C@@H]2CC(c3ccc(F)cc3)=CCN2)CCS1.
What is the InChIKey of 4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine?
The InChIKey is GRMOTBGADOHETN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-17(2)12-20(9-10-21-17)16-11-14(7-8-19-16)13-3-5-15(18)6-4-13/h3-7,16,19H,8-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine?
4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine has a molecular weight of 306.45 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-2-yl]-2,2-dimethylthiomorpholine is sourced from PubChem (CID 69138154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).