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

C16H20N2O2S — CID 72934410

IUPAC[2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol
SMILESCc1cccc(OC2CCN(c3nc(CO)cs3)CC2)c1
InChIInChI=1S/C16H20N2O2S/c1-12-3-2-4-15(9-12)20-14-5-7-18(8-6-14)16-17-13(10-19)11-21-16/h2-4,9,11,14,19H,5-8,10H2,1H3
InChIKeyXBSVISFAIOAUCT-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.99
Rot. Bonds4

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

[2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol (PubChem CID 72934410) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is [2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol
PubChem CID72934410
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name[2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol
SMILESCc1cccc(OC2CCN(c3nc(CO)cs3)CC2)c1
InChIInChI=1S/C16H20N2O2S/c1-12-3-2-4-15(9-12)20-14-5-7-18(8-6-14)16-17-13(10-19)11-21-16/h2-4,9,11,14,19H,5-8,10H2,1H3
InChIKeyXBSVISFAIOAUCT-UHFFFAOYSA-N
XLogP2.99
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol (CID 72934410) is [2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol is Cc1cccc(OC2CCN(c3nc(CO)cs3)CC2)c1.
What is the InChIKey of [2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
The InChIKey is XBSVISFAIOAUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-3-2-4-15(9-12)20-14-5-7-18(8-6-14)16-17-13(10-19)11-21-16/h2-4,9,11,14,19H,5-8,10H2,1H3.
What are the key properties of [2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
[2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol has a molecular weight of 304.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-methylphenoxy)piperidin-1-yl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 72934410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).