4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole

C16H19FN2S — CID 28730309

IUPAC4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc(CC2CCN(Cc3cscn3)CC2)cc1
InChIInChI=1S/C16H19FN2S/c17-15-3-1-13(2-4-15)9-14-5-7-19(8-6-14)10-16-11-20-12-18-16/h1-4,11-12,14H,5-10H2
InChIKeyUDPKFRIJKYRHOU-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.74
Rot. Bonds4

About 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole

4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 28730309) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID28730309
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc(CC2CCN(Cc3cscn3)CC2)cc1
InChIInChI=1S/C16H19FN2S/c17-15-3-1-13(2-4-15)9-14-5-7-19(8-6-14)10-16-11-20-12-18-16/h1-4,11-12,14H,5-10H2
InChIKeyUDPKFRIJKYRHOU-UHFFFAOYSA-N
XLogP3.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.74
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)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole (CID 28730309) is 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole is Fc1ccc(CC2CCN(Cc3cscn3)CC2)cc1.
What is the InChIKey of 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is UDPKFRIJKYRHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c17-15-3-1-13(2-4-15)9-14-5-7-19(8-6-14)10-16-11-20-12-18-16/h1-4,11-12,14H,5-10H2.
What are the key properties of 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 290.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 28730309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).