1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol

C12H20N2OS — CID 104517036

IUPAC1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
SMILESCC(C)c1cnc(CN2CCC(O)CC2)s1
InChIInChI=1S/C12H20N2OS/c1-9(2)11-7-13-12(16-11)8-14-5-3-10(15)4-6-14/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyOLAWXOMYCSVZNP-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.22
Rot. Bonds3

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

1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol (PubChem CID 104517036) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
PubChem CID104517036
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
SMILESCC(C)c1cnc(CN2CCC(O)CC2)s1
InChIInChI=1S/C12H20N2OS/c1-9(2)11-7-13-12(16-11)8-14-5-3-10(15)4-6-14/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyOLAWXOMYCSVZNP-UHFFFAOYSA-N
XLogP2.22
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 120781510
1-morpholin-4-yl-2-[4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 126777513
5-N-[1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine;hydrochloride
CID 129001228
(3S)-1-[(5-propan-2-ylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 171586281
2-[methyl-[[(2R)-4-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340998
2-(azetidin-3-ylmethyl)-5-propan-2-yl-1,3-thiazole
CID 105450257
1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol
CID 131042044
[(3R,4R)-4-phenyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120769343
2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82424687
2-[2-(azepan-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82425139
1-[2-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-5-yl]ethanol
CID 167943526
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354

Frequently Asked Questions

What is the IUPAC name of 1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol (CID 104517036) is 1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol is CC(C)c1cnc(CN2CCC(O)CC2)s1.
What is the InChIKey of 1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
The InChIKey is OLAWXOMYCSVZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)11-7-13-12(16-11)8-14-5-3-10(15)4-6-14/h7,9-10,15H,3-6,8H2,1-2H3.
What are the key properties of 1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol?
1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol has a molecular weight of 240.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 104517036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).