3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol

C13H22N4OS — CID 70757341

IUPAC3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol
SMILESOC1(CN2CCN(c3nccs3)CC2)CCCNC1
InChIInChI=1S/C13H22N4OS/c18-13(2-1-3-14-10-13)11-16-5-7-17(8-6-16)12-15-4-9-19-12/h4,9,14,18H,1-3,5-8,10-11H2
InChIKeyRZGXELLUXFQGKN-UHFFFAOYSA-N
MW282.41 g/mol
LogP0.38
Rot. Bonds3

About 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol

3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol (PubChem CID 70757341) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol
PubChem CID70757341
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol
SMILESOC1(CN2CCN(c3nccs3)CC2)CCCNC1
InChIInChI=1S/C13H22N4OS/c18-13(2-1-3-14-10-13)11-16-5-7-17(8-6-16)12-15-4-9-19-12/h4,9,14,18H,1-3,5-8,10-11H2
InChIKeyRZGXELLUXFQGKN-UHFFFAOYSA-N
XLogP0.38
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol?
The IUPAC name of 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol (CID 70757341) is 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol?
The canonical SMILES for 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol is OC1(CN2CCN(c3nccs3)CC2)CCCNC1.
What is the InChIKey of 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol?
The InChIKey is RZGXELLUXFQGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c18-13(2-1-3-14-10-13)11-16-5-7-17(8-6-16)12-15-4-9-19-12/h4,9,14,18H,1-3,5-8,10-11H2.
What are the key properties of 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol?
3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol has a molecular weight of 282.41 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 70757341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).