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

C10H15ClN2OS — CID 61435144

IUPAC1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2nc(CCl)cs2)C1
InChIInChI=1S/C10H15ClN2OS/c11-4-8-7-15-10(12-8)6-13-3-1-2-9(14)5-13/h7,9,14H,1-6H2
InChIKeyGDPZALDHIITEJR-UHFFFAOYSA-N
MW246.76 g/mol
LogP1.84
Rot. Bonds3

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

1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol (PubChem CID 61435144) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol
PubChem CID61435144
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol
SMILESOC1CCCN(Cc2nc(CCl)cs2)C1
InChIInChI=1S/C10H15ClN2OS/c11-4-8-7-15-10(12-8)6-13-3-1-2-9(14)5-13/h7,9,14H,1-6H2
InChIKeyGDPZALDHIITEJR-UHFFFAOYSA-N
XLogP1.84
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-(chloromethyl)-1,3-thiazole
CID 79943426
2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 95899411
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 130552808
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide
CID 54989002
(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
CID 32611074
1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol
CID 110904761
N-methyl-1-[2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82193978
4-(chloromethyl)-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 43585535
2-[2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetonitrile
CID 82515543

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol (CID 61435144) is 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol is OC1CCCN(Cc2nc(CCl)cs2)C1.
What is the InChIKey of 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol?
The InChIKey is GDPZALDHIITEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c11-4-8-7-15-10(12-8)6-13-3-1-2-9(14)5-13/h7,9,14H,1-6H2.
What are the key properties of 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol?
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol has a molecular weight of 246.76 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 61435144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).