1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol

C18H22N2O3S — CID 111113951

IUPAC1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1
InChIInChI=1S/C18H22N2O3S/c1-12(21)13-4-6-20(7-5-13)9-15-10-24-18(19-15)14-2-3-16-17(8-14)23-11-22-16/h2-3,8,10,12-13,21H,4-7,9,11H2,1H3
InChIKeyIVFUFGOTPZLJDU-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.13
Rot. Bonds4

About 1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol

1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol (PubChem CID 111113951) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol
PubChem CID111113951
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1
InChIInChI=1S/C18H22N2O3S/c1-12(21)13-4-6-20(7-5-13)9-15-10-24-18(19-15)14-2-3-16-17(8-14)23-11-22-16/h2-3,8,10,12-13,21H,4-7,9,11H2,1H3
InChIKeyIVFUFGOTPZLJDU-UHFFFAOYSA-N
XLogP3.13
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol with MolForge

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Related Compounds

4-(7-azabicyclo[2.2.1]heptan-7-ylmethyl)-2-(1,3-benzodioxol-5-yl)-1,3-thiazole
CID 154741223
1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 111113942
N-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 119114196
2-(1,3-benzodioxol-5-yl)-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 120968502
(2R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 95292660
2-(1,3-benzodioxol-5-yl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 22199826
[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781006
3-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylamino]-2-methylbutan-1-ol
CID 111448609
(2S)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
CID 95161172
(3R)-3-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methylamino]-4-methylpentan-1-ol
CID 97318460
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119647798
1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 106837511

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol (CID 111113951) is 1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1.
What is the InChIKey of 1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol?
The InChIKey is IVFUFGOTPZLJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12(21)13-4-6-20(7-5-13)9-15-10-24-18(19-15)14-2-3-16-17(8-14)23-11-22-16/h2-3,8,10,12-13,21H,4-7,9,11H2,1H3.
What are the key properties of 1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol?
1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol has a molecular weight of 346.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 111113951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).