(S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol

C18H24N2OS — CID 164636140

IUPAC(S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol
SMILESCc1ccccc1[C@@H](O)C1CCN(CCc2cscn2)CC1
InChIInChI=1S/C18H24N2OS/c1-14-4-2-3-5-17(14)18(21)15-6-9-20(10-7-15)11-8-16-12-22-13-19-16/h2-5,12-13,15,18,21H,6-11H2,1H3/t18-/m0/s1
InChIKeyDKWVSPSUOWFINQ-SFHVURJKSA-N
MW316.47 g/mol
LogP3.44
Rot. Bonds5

About (S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol

(S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol (PubChem CID 164636140) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is (S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol
PubChem CID164636140
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name(S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol
SMILESCc1ccccc1[C@@H](O)C1CCN(CCc2cscn2)CC1
InChIInChI=1S/C18H24N2OS/c1-14-4-2-3-5-17(14)18(21)15-6-9-20(10-7-15)11-8-16-12-22-13-19-16/h2-5,12-13,15,18,21H,6-11H2,1H3/t18-/m0/s1
InChIKeyDKWVSPSUOWFINQ-SFHVURJKSA-N
XLogP3.44
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol?
The IUPAC name of (S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol (CID 164636140) is (S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for (S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for (S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol is Cc1ccccc1[C@@H](O)C1CCN(CCc2cscn2)CC1.
What is the InChIKey of (S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol?
The InChIKey is DKWVSPSUOWFINQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-14-4-2-3-5-17(14)18(21)15-6-9-20(10-7-15)11-8-16-12-22-13-19-16/h2-5,12-13,15,18,21H,6-11H2,1H3/t18-/m0/s1.
What are the key properties of (S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol?
(S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol has a molecular weight of 316.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(2-methylphenyl)-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 164636140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).