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

C18H24FN3OS — CID 134314418

IUPAC2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1C(CN)N1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C18H24FN3OS/c1-13-18(24-12-21-13)17(10-20)22-8-6-15(7-9-22)23-11-14-4-2-3-5-16(14)19/h2-5,12,15,17H,6-11,20H2,1H3
InChIKeyHPJFDMCSSJURLF-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.27
Rot. Bonds6

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

2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 134314418) has the molecular formula C18H24FN3OS and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID134314418
Molecular FormulaC18H24FN3OS
Molecular Weight349.48 g/mol
Exact Mass349.16
IUPAC Name2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1C(CN)N1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C18H24FN3OS/c1-13-18(24-12-21-13)17(10-20)22-8-6-15(7-9-22)23-11-14-4-2-3-5-16(14)19/h2-5,12,15,17H,6-11,20H2,1H3
InChIKeyHPJFDMCSSJURLF-UHFFFAOYSA-N
XLogP3.27
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
CID 134314269
2-(4-methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine
CID 118297265
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidin-1-yl]ethanamine
CID 164530257
5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole
CID 126829118
2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
CID 134314504
2-[4-[(4-methylphenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
CID 142296709
1-(aminomethyl)-4-[(2-fluorophenyl)methoxy]cyclohexan-1-ol
CID 58923698
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(6-fluoropyridazin-3-yl)oxymethyl]piperidin-1-yl]ethanamine
CID 164530260
2-[4-(difluoromethyl)-1,3-thiazol-5-yl]-2-[4-[(2E,4E)-2-fluorohepta-2,4-dien-4-yl]oxypiperidin-1-yl]ethanamine
CID 142296710
1-[(1-ethylpyrazol-4-yl)methyl]-4-[(2-fluorophenyl)methoxy]piperidine
CID 75500048
N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
CID 134303579
5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 167909565

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 134314418) is 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncsc1C(CN)N1CCC(OCc2ccccc2F)CC1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is HPJFDMCSSJURLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3OS/c1-13-18(24-12-21-13)17(10-20)22-8-6-15(7-9-22)23-11-14-4-2-3-5-16(14)19/h2-5,12,15,17H,6-11,20H2,1H3.
What are the key properties of 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 349.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 134314418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).