[4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol

C16H20N2OS — CID 110008771

IUPAC[4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CN2CCCC(c3nccs3)C2)cc1
InChIInChI=1S/C16H20N2OS/c19-12-14-5-3-13(4-6-14)10-18-8-1-2-15(11-18)16-17-7-9-20-16/h3-7,9,15,19H,1-2,8,10-12H2
InChIKeyYHOYMEMAUJJGJQ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.02
Rot. Bonds4

About [4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol

[4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol (PubChem CID 110008771) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is [4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
PubChem CID110008771
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name[4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CN2CCCC(c3nccs3)C2)cc1
InChIInChI=1S/C16H20N2OS/c19-12-14-5-3-13(4-6-14)10-18-8-1-2-15(11-18)16-17-7-9-20-16/h3-7,9,15,19H,1-2,8,10-12H2
InChIKeyYHOYMEMAUJJGJQ-UHFFFAOYSA-N
XLogP3.02
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol (CID 110008771) is [4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol is OCc1ccc(CN2CCCC(c3nccs3)C2)cc1.
What is the InChIKey of [4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol?
The InChIKey is YHOYMEMAUJJGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c19-12-14-5-3-13(4-6-14)10-18-8-1-2-15(11-18)16-17-7-9-20-16/h3-7,9,15,19H,1-2,8,10-12H2.
What are the key properties of [4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol?
[4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol has a molecular weight of 288.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 110008771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).