4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole

C16H20N2OS — CID 71985485

IUPAC4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccc(C2CCN(Cc3cscn3)CC2)cc1
InChIInChI=1S/C16H20N2OS/c1-19-16-4-2-13(3-5-16)14-6-8-18(9-7-14)10-15-11-20-12-17-15/h2-5,11-12,14H,6-10H2,1H3
InChIKeyUXZXMQHVHOVJFF-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.53
Rot. Bonds4

About 4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole

4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 71985485) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID71985485
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1ccc(C2CCN(Cc3cscn3)CC2)cc1
InChIInChI=1S/C16H20N2OS/c1-19-16-4-2-13(3-5-16)14-6-8-18(9-7-14)10-15-11-20-12-17-15/h2-5,11-12,14H,6-10H2,1H3
InChIKeyUXZXMQHVHOVJFF-UHFFFAOYSA-N
XLogP3.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 71985485) is 4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole is COc1ccc(C2CCN(Cc3cscn3)CC2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is UXZXMQHVHOVJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-19-16-4-2-13(3-5-16)14-6-8-18(9-7-14)10-15-11-20-12-17-15/h2-5,11-12,14H,6-10H2,1H3.
What are the key properties of 4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole?
4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 288.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 71985485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).