2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol

C13H20ClNOS — CID 82215012

IUPAC2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CC(Cl)c1cccs1
InChIInChI=1S/C13H20ClNOS/c14-12(13-5-3-9-17-13)10-15-7-2-1-4-11(15)6-8-16/h3,5,9,11-12,16H,1-2,4,6-8,10H2
InChIKeyRZEWPIYSMOLMKH-UHFFFAOYSA-N
MW273.83 g/mol
LogP3.26
Rot. Bonds5

About 2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol

2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol (PubChem CID 82215012) has the molecular formula C13H20ClNOS and a molecular weight of 273.83 g/mol. Its IUPAC name is 2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol
PubChem CID82215012
Molecular FormulaC13H20ClNOS
Molecular Weight273.83 g/mol
Exact Mass273.10
IUPAC Name2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CC(Cl)c1cccs1
InChIInChI=1S/C13H20ClNOS/c14-12(13-5-3-9-17-13)10-15-7-2-1-4-11(15)6-8-16/h3,5,9,11-12,16H,1-2,4,6-8,10H2
InChIKeyRZEWPIYSMOLMKH-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.83
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-chloro-2-(2-methoxyphenyl)ethyl]piperidin-2-yl]ethanol
CID 82215107
2-[1-(2-amino-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 55021562
2-[1-(2-piperazin-1-yl-1-thiophen-2-ylethyl)piperidin-2-yl]ethanol
CID 82201737
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194
2-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]ethanol
CID 60690233
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 82215800
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-phenylpropanethioamide
CID 64536512
2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-pyridin-3-ylethanol
CID 82216467
2-(1-benzylpyrrolidin-2-yl)-1-thiophen-2-ylethanol
CID 111858444
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
(3S)-3-chloro-3-thiophen-2-ylpropan-1-ol
CID 69099152

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol (CID 82215012) is 2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol is OCCC1CCCCN1CC(Cl)c1cccs1.
What is the InChIKey of 2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol?
The InChIKey is RZEWPIYSMOLMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNOS/c14-12(13-5-3-9-17-13)10-15-7-2-1-4-11(15)6-8-16/h3,5,9,11-12,16H,1-2,4,6-8,10H2.
What are the key properties of 2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol?
2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol has a molecular weight of 273.83 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-2-thiophen-2-ylethyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 82215012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).