4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine

C17H23FN2S — CID 69138155

IUPAC4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine
SMILESCC1(C)CN(N2CC=C(c3ccc(F)cc3)CC2)CCS1
InChIInChI=1S/C17H23FN2S/c1-17(2)13-20(11-12-21-17)19-9-7-15(8-10-19)14-3-5-16(18)6-4-14/h3-7H,8-13H2,1-2H3
InChIKeyQXFIOEIAKNFIFI-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.66
Rot. Bonds2

About 4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine

4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine (PubChem CID 69138155) has the molecular formula C17H23FN2S and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine
PubChem CID69138155
Molecular FormulaC17H23FN2S
Molecular Weight306.45 g/mol
Exact Mass306.16
IUPAC Name4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine
SMILESCC1(C)CN(N2CC=C(c3ccc(F)cc3)CC2)CCS1
InChIInChI=1S/C17H23FN2S/c1-17(2)13-20(11-12-21-17)19-9-7-15(8-10-19)14-3-5-16(18)6-4-14/h3-7H,8-13H2,1-2H3
InChIKeyQXFIOEIAKNFIFI-UHFFFAOYSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine?
The IUPAC name of 4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine (CID 69138155) is 4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine is CC1(C)CN(N2CC=C(c3ccc(F)cc3)CC2)CCS1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine?
The InChIKey is QXFIOEIAKNFIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2S/c1-17(2)13-20(11-12-21-17)19-9-7-15(8-10-19)14-3-5-16(18)6-4-14/h3-7H,8-13H2,1-2H3.
What are the key properties of 4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine?
4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine has a molecular weight of 306.45 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylthiomorpholine is sourced from PubChem (CID 69138155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).