1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol

C18H24FN3OS — CID 111122906

IUPAC1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol
SMILESCc1ncc(CNC(C)c2cc(F)ccc2N2CCC(O)CC2)s1
InChIInChI=1S/C18H24FN3OS/c1-12(20-10-16-11-21-13(2)24-16)17-9-14(19)3-4-18(17)22-7-5-15(23)6-8-22/h3-4,9,11-12,15,20,23H,5-8,10H2,1-2H3
InChIKeyWPDYABPXYRSIOY-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.40
Rot. Bonds5

About 1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol

1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol (PubChem CID 111122906) has the molecular formula C18H24FN3OS and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol
PubChem CID111122906
Molecular FormulaC18H24FN3OS
Molecular Weight349.48 g/mol
Exact Mass349.16
IUPAC Name1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol
SMILESCc1ncc(CNC(C)c2cc(F)ccc2N2CCC(O)CC2)s1
InChIInChI=1S/C18H24FN3OS/c1-12(20-10-16-11-21-13(2)24-16)17-9-14(19)3-4-18(17)22-7-5-15(23)6-8-22/h3-4,9,11-12,15,20,23H,5-8,10H2,1-2H3
InChIKeyWPDYABPXYRSIOY-UHFFFAOYSA-N
XLogP3.40
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol (CID 111122906) is 1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol is Cc1ncc(CNC(C)c2cc(F)ccc2N2CCC(O)CC2)s1.
What is the InChIKey of 1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol?
The InChIKey is WPDYABPXYRSIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3OS/c1-12(20-10-16-11-21-13(2)24-16)17-9-14(19)3-4-18(17)22-7-5-15(23)6-8-22/h3-4,9,11-12,15,20,23H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol?
1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol has a molecular weight of 349.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 111122906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).