[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol

C15H20N2O2S — CID 154575671

IUPAC[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
SMILESCCOc1cccc2sc(N3CCCC(CO)C3)nc12
InChIInChI=1S/C15H20N2O2S/c1-2-19-12-6-3-7-13-14(12)16-15(20-13)17-8-4-5-11(9-17)10-18/h3,6-7,11,18H,2,4-5,8-10H2,1H3
InChIKeyMKFGGTHQFLSXSF-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.90
Rot. Bonds4

About [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol

[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol (PubChem CID 154575671) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
PubChem CID154575671
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
SMILESCCOc1cccc2sc(N3CCCC(CO)C3)nc12
InChIInChI=1S/C15H20N2O2S/c1-2-19-12-6-3-7-13-14(12)16-15(20-13)17-8-4-5-11(9-17)10-18/h3,6-7,11,18H,2,4-5,8-10H2,1H3
InChIKeyMKFGGTHQFLSXSF-UHFFFAOYSA-N
XLogP2.90
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol (CID 154575671) is [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol is CCOc1cccc2sc(N3CCCC(CO)C3)nc12.
What is the InChIKey of [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol?
The InChIKey is MKFGGTHQFLSXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-19-12-6-3-7-13-14(12)16-15(20-13)17-8-4-5-11(9-17)10-18/h3,6-7,11,18H,2,4-5,8-10H2,1H3.
What are the key properties of [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol?
[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol has a molecular weight of 292.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 154575671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).