2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol

C14H23ClN2OS — CID 107228381

IUPAC2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol
SMILESCCC(c1nc(CCl)cs1)N1CCCC(CCO)C1
InChIInChI=1S/C14H23ClN2OS/c1-2-13(14-16-12(8-15)10-19-14)17-6-3-4-11(9-17)5-7-18/h10-11,13,18H,2-9H2,1H3
InChIKeyXENZTCNLLKQSTR-UHFFFAOYSA-N
MW302.87 g/mol
LogP3.43
Rot. Bonds6

About 2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol

2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol (PubChem CID 107228381) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is 2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol
PubChem CID107228381
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol
SMILESCCC(c1nc(CCl)cs1)N1CCCC(CCO)C1
InChIInChI=1S/C14H23ClN2OS/c1-2-13(14-16-12(8-15)10-19-14)17-6-3-4-11(9-17)5-7-18/h10-11,13,18H,2-9H2,1H3
InChIKeyXENZTCNLLKQSTR-UHFFFAOYSA-N
XLogP3.43
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 53.43
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

1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474597
1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]-1,4-diazepan-5-one
CID 63004510
2-[4-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-1,4-diazepan-1-yl]ethanol
CID 107224024
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-thiazol-4-yl]ethanol
CID 115088933
2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile
CID 62357327
4-(chloromethyl)-2-[1-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1,3-thiazole
CID 79184549
2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol
CID 107227140
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114799150
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 62547867
2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol
CID 107227144
2-[1-[2-amino-1-(furan-2-yl)butyl]piperidin-3-yl]ethanol
CID 107227112
ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate
CID 64663422

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol (CID 107228381) is 2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol is CCC(c1nc(CCl)cs1)N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol?
The InChIKey is XENZTCNLLKQSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2OS/c1-2-13(14-16-12(8-15)10-19-14)17-6-3-4-11(9-17)5-7-18/h10-11,13,18H,2-9H2,1H3.
What are the key properties of 2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol?
2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol has a molecular weight of 302.87 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]propyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).