[1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol

C12H19ClN2OS — CID 43138386

IUPAC[1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CCc2nc(CCl)cs2)CC1
InChIInChI=1S/C12H19ClN2OS/c13-7-11-9-17-12(14-11)3-6-15-4-1-10(8-16)2-5-15/h9-10,16H,1-8H2
InChIKeyXVSDKAWROOAPFU-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.13
Rot. Bonds5

About [1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol

[1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol (PubChem CID 43138386) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is [1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol
PubChem CID43138386
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name[1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol
SMILESOCC1CCN(CCc2nc(CCl)cs2)CC1
InChIInChI=1S/C12H19ClN2OS/c13-7-11-9-17-12(14-11)3-6-15-4-1-10(8-16)2-5-15/h9-10,16H,1-8H2
InChIKeyXVSDKAWROOAPFU-UHFFFAOYSA-N
XLogP2.13
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.13
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

4-(chloromethyl)-2-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 63973702
[4-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]morpholin-2-yl]methanol
CID 81204885
2-[2-(4-tert-butylpiperazin-1-yl)ethyl]-4-(chloromethyl)-1,3-thiazole
CID 61433252
4-(chloromethyl)-2-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,3-thiazole
CID 62206798
2-[3-(azocan-1-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 43320490
4-[3-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]thiomorpholine
CID 43138391
[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82515255
2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide
CID 54989002
4-(chloromethyl)-2-[3-(4-propylpiperazin-1-yl)propyl]-1,3-thiazole
CID 43320470
4-(chloromethyl)-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-1,3-thiazole
CID 63153110
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 103880843
2-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 113336000

Frequently Asked Questions

What is the IUPAC name of [1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol (CID 43138386) is [1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol is OCC1CCN(CCc2nc(CCl)cs2)CC1.
What is the InChIKey of [1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol?
The InChIKey is XVSDKAWROOAPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2OS/c13-7-11-9-17-12(14-11)3-6-15-4-1-10(8-16)2-5-15/h9-10,16H,1-8H2.
What are the key properties of [1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol?
[1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol has a molecular weight of 274.82 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 43138386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).