(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol

C16H19FN2O2S — CID 110145947

IUPAC(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol
SMILESC[C@]1(O)CN(Cc2cncs2)CC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C16H19FN2O2S/c1-16(20)10-19(9-14-8-18-11-22-14)6-5-15(16)21-13-4-2-3-12(17)7-13/h2-4,7-8,11,15,20H,5-6,9-10H2,1H3/t15-,16-/m0/s1
InChIKeyDGGRHKXUGPUKLG-HOTGVXAUSA-N
MW322.40 g/mol
LogP2.69
Rot. Bonds4

About (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol

(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol (PubChem CID 110145947) has the molecular formula C16H19FN2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol
PubChem CID110145947
Molecular FormulaC16H19FN2O2S
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Name(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol
SMILESC[C@]1(O)CN(Cc2cncs2)CC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C16H19FN2O2S/c1-16(20)10-19(9-14-8-18-11-22-14)6-5-15(16)21-13-4-2-3-12(17)7-13/h2-4,7-8,11,15,20H,5-6,9-10H2,1H3/t15-,16-/m0/s1
InChIKeyDGGRHKXUGPUKLG-HOTGVXAUSA-N
XLogP2.69
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol (CID 110145947) is (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol is C[C@]1(O)CN(Cc2cncs2)CC[C@@H]1Oc1cccc(F)c1.
What is the InChIKey of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol?
The InChIKey is DGGRHKXUGPUKLG-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-16(20)10-19(9-14-8-18-11-22-14)6-5-15(16)21-13-4-2-3-12(17)7-13/h2-4,7-8,11,15,20H,5-6,9-10H2,1H3/t15-,16-/m0/s1.
What are the key properties of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol?
(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol has a molecular weight of 322.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 110145947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).