1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol

C12H22N2O2S — CID 171852964

IUPAC1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol
SMILESCC1SC=CN1OCC(O)CN1CCCCC1
InChIInChI=1S/C12H22N2O2S/c1-11-14(7-8-17-11)16-10-12(15)9-13-5-3-2-4-6-13/h7-8,11-12,15H,2-6,9-10H2,1H3
InChIKeyVQCNDLIXGDBKBK-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.63
Rot. Bonds5

About 1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol

1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol (PubChem CID 171852964) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol
PubChem CID171852964
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol
SMILESCC1SC=CN1OCC(O)CN1CCCCC1
InChIInChI=1S/C12H22N2O2S/c1-11-14(7-8-17-11)16-10-12(15)9-13-5-3-2-4-6-13/h7-8,11-12,15H,2-6,9-10H2,1H3
InChIKeyVQCNDLIXGDBKBK-UHFFFAOYSA-N
XLogP1.63
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methyl-3H-1,2-oxazol-2-yl)oxy]-3-piperidin-1-ylpropan-2-ol
CID 171852960
1-piperidin-1-yl-3-(2H-pyridin-1-yloxy)propan-2-ol;hydrochloride
CID 172812158
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone;hydrochloride
CID 16806994
1-(azonan-1-yl)butan-2-ol
CID 130671766
(2S)-1-(azepan-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol
CID 35581687
1-[(2-methylpropan-2-yl)oxy]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898534
(2S)-3-piperidin-1-ylpropane-1,2-diol
CID 854495
(2R)-1-(azepan-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 2306304
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol
CID 2321616
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-octoxy-3-piperidin-1-ylpropan-2-ol
CID 566865

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol (CID 171852964) is 1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol is CC1SC=CN1OCC(O)CN1CCCCC1.
What is the InChIKey of 1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is VQCNDLIXGDBKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-11-14(7-8-17-11)16-10-12(15)9-13-5-3-2-4-6-13/h7-8,11-12,15H,2-6,9-10H2,1H3.
What are the key properties of 1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol?
1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 258.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-2H-1,3-thiazol-3-yl)oxy]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 171852964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).