4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine

C15H20F3N3S — CID 171335362

IUPAC4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine
SMILESFC(F)(F)c1ccnc(N2CCC(N3CCSCC3)CC2)c1
InChIInChI=1S/C15H20F3N3S/c16-15(17,18)12-1-4-19-14(11-12)21-5-2-13(3-6-21)20-7-9-22-10-8-20/h1,4,11,13H,2-3,5-10H2
InChIKeyBEZBPXOEWPLHNT-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.12
Rot. Bonds2

About 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine

4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine (PubChem CID 171335362) has the molecular formula C15H20F3N3S and a molecular weight of 331.41 g/mol. Its IUPAC name is 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine.

Molecular Properties

Compound Name4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine
PubChem CID171335362
Molecular FormulaC15H20F3N3S
Molecular Weight331.41 g/mol
Exact Mass331.13
IUPAC Name4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine
SMILESFC(F)(F)c1ccnc(N2CCC(N3CCSCC3)CC2)c1
InChIInChI=1S/C15H20F3N3S/c16-15(17,18)12-1-4-19-14(11-12)21-5-2-13(3-6-21)20-7-9-22-10-8-20/h1,4,11,13H,2-3,5-10H2
InChIKeyBEZBPXOEWPLHNT-UHFFFAOYSA-N
XLogP3.12
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine?
The IUPAC name of 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine (CID 171335362) is 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine.
What is the SMILES notation for 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine?
The canonical SMILES for 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine is FC(F)(F)c1ccnc(N2CCC(N3CCSCC3)CC2)c1.
What is the InChIKey of 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine?
The InChIKey is BEZBPXOEWPLHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3S/c16-15(17,18)12-1-4-19-14(11-12)21-5-2-13(3-6-21)20-7-9-22-10-8-20/h1,4,11,13H,2-3,5-10H2.
What are the key properties of 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine?
4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine has a molecular weight of 331.41 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]thiomorpholine is sourced from PubChem (CID 171335362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).