1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine

C19H26FN3OS — CID 118190293

IUPAC1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCCOc1ncc(CN2CCC(N(C)Cc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C19H26FN3OS/c1-3-24-19-21-12-18(25-19)14-23-10-8-17(9-11-23)22(2)13-15-4-6-16(20)7-5-15/h4-7,12,17H,3,8-11,13-14H2,1-2H3
InChIKeyFGUDGGFENFCQMY-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.78
Rot. Bonds7

About 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine

1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine (PubChem CID 118190293) has the molecular formula C19H26FN3OS and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
PubChem CID118190293
Molecular FormulaC19H26FN3OS
Molecular Weight363.50 g/mol
Exact Mass363.18
IUPAC Name1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCCOc1ncc(CN2CCC(N(C)Cc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C19H26FN3OS/c1-3-24-19-21-12-18(25-19)14-23-10-8-17(9-11-23)22(2)13-15-4-6-16(20)7-5-15/h4-7,12,17H,3,8-11,13-14H2,1-2H3
InChIKeyFGUDGGFENFCQMY-UHFFFAOYSA-N
XLogP3.78
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine (CID 118190293) is 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine is CCOc1ncc(CN2CCC(N(C)Cc3ccc(F)cc3)CC2)s1.
What is the InChIKey of 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is FGUDGGFENFCQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3OS/c1-3-24-19-21-12-18(25-19)14-23-10-8-17(9-11-23)22(2)13-15-4-6-16(20)7-5-15/h4-7,12,17H,3,8-11,13-14H2,1-2H3.
What are the key properties of 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 363.50 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-N-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 118190293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).