1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine

C17H23N3OS — CID 100661543

IUPAC1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine
SMILESCc1cnc(N2CCC(NCCOc3ccccc3)CC2)s1
InChIInChI=1S/C17H23N3OS/c1-14-13-19-17(22-14)20-10-7-15(8-11-20)18-9-12-21-16-5-3-2-4-6-16/h2-6,13,15,18H,7-12H2,1H3
InChIKeyYOWWCSQATUWMPA-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.09
Rot. Bonds6

About 1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine

1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine (PubChem CID 100661543) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine
PubChem CID100661543
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine
SMILESCc1cnc(N2CCC(NCCOc3ccccc3)CC2)s1
InChIInChI=1S/C17H23N3OS/c1-14-13-19-17(22-14)20-10-7-15(8-11-20)18-9-12-21-16-5-3-2-4-6-16/h2-6,13,15,18H,7-12H2,1H3
InChIKeyYOWWCSQATUWMPA-UHFFFAOYSA-N
XLogP3.09
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine (CID 100661543) is 1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine is Cc1cnc(N2CCC(NCCOc3ccccc3)CC2)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
The InChIKey is YOWWCSQATUWMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-14-13-19-17(22-14)20-10-7-15(8-11-20)18-9-12-21-16-5-3-2-4-6-16/h2-6,13,15,18H,7-12H2,1H3.
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine?
1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine has a molecular weight of 317.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethyl)piperidin-4-amine is sourced from PubChem (CID 100661543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).