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

C14H24N4OS — CID 91491462

IUPAC2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-ol
SMILESCN1CCC(CN2CCN(c3nc(O)cs3)CC2)CC1
InChIInChI=1S/C14H24N4OS/c1-16-4-2-12(3-5-16)10-17-6-8-18(9-7-17)14-15-13(19)11-20-14/h11-12,19H,2-10H2,1H3
InChIKeyROKRRJKUFGXRLF-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.31
Rot. Bonds3

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

2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-ol (PubChem CID 91491462) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-ol
PubChem CID91491462
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-ol
SMILESCN1CCC(CN2CCN(c3nc(O)cs3)CC2)CC1
InChIInChI=1S/C14H24N4OS/c1-16-4-2-12(3-5-16)10-17-6-8-18(9-7-17)14-15-13(19)11-20-14/h11-12,19H,2-10H2,1H3
InChIKeyROKRRJKUFGXRLF-UHFFFAOYSA-N
XLogP1.31
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-ol (CID 91491462) is 2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-ol is CN1CCC(CN2CCN(c3nc(O)cs3)CC2)CC1.
What is the InChIKey of 2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-ol?
The InChIKey is ROKRRJKUFGXRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-16-4-2-12(3-5-16)10-17-6-8-18(9-7-17)14-15-13(19)11-20-14/h11-12,19H,2-10H2,1H3.
What are the key properties of 2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-ol?
2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-ol has a molecular weight of 296.44 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-ol is sourced from PubChem (CID 91491462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).