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

C16H21FN4OS — CID 133454278

IUPAC1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol
SMILESCc1nnc(NC(C)c2cc(F)ccc2N2CCC(O)CC2)s1
InChIInChI=1S/C16H21FN4OS/c1-10(18-16-20-19-11(2)23-16)14-9-12(17)3-4-15(14)21-7-5-13(22)6-8-21/h3-4,9-10,13,22H,5-8H2,1-2H3,(H,18,20)
InChIKeyTVJKIJFHCPEDDW-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.12
Rot. Bonds4

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

1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol (PubChem CID 133454278) has the molecular formula C16H21FN4OS and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol
PubChem CID133454278
Molecular FormulaC16H21FN4OS
Molecular Weight336.44 g/mol
Exact Mass336.14
IUPAC Name1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol
SMILESCc1nnc(NC(C)c2cc(F)ccc2N2CCC(O)CC2)s1
InChIInChI=1S/C16H21FN4OS/c1-10(18-16-20-19-11(2)23-16)14-9-12(17)3-4-15(14)21-7-5-13(22)6-8-21/h3-4,9-10,13,22H,5-8H2,1-2H3,(H,18,20)
InChIKeyTVJKIJFHCPEDDW-UHFFFAOYSA-N
XLogP3.12
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol (CID 133454278) is 1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol is Cc1nnc(NC(C)c2cc(F)ccc2N2CCC(O)CC2)s1.
What is the InChIKey of 1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol?
The InChIKey is TVJKIJFHCPEDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4OS/c1-10(18-16-20-19-11(2)23-16)14-9-12(17)3-4-15(14)21-7-5-13(22)6-8-21/h3-4,9-10,13,22H,5-8H2,1-2H3,(H,18,20).
What are the key properties of 1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol?
1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol has a molecular weight of 336.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 133454278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).