1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine

C17H22FN3S — CID 70876621

IUPAC1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2cnc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C17H22FN3S/c1-19-10-13-6-8-21(9-7-13)12-14-11-20-17(22-14)15-4-2-3-5-16(15)18/h2-5,11,13,19H,6-10,12H2,1H3
InChIKeyDKBRGPBSVVVPHW-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.38
Rot. Bonds5

About 1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine

1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 70876621) has the molecular formula C17H22FN3S and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID70876621
Molecular FormulaC17H22FN3S
Molecular Weight319.45 g/mol
Exact Mass319.15
IUPAC Name1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2cnc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C17H22FN3S/c1-19-10-13-6-8-21(9-7-13)12-14-11-20-17(22-14)15-4-2-3-5-16(15)18/h2-5,11,13,19H,6-10,12H2,1H3
InChIKeyDKBRGPBSVVVPHW-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine (CID 70876621) is 1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(Cc2cnc(-c3ccccc3F)s2)CC1.
What is the InChIKey of 1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is DKBRGPBSVVVPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3S/c1-19-10-13-6-8-21(9-7-13)12-14-11-20-17(22-14)15-4-2-3-5-16(15)18/h2-5,11,13,19H,6-10,12H2,1H3.
What are the key properties of 1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 319.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 70876621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).