4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine

C11H16ClNS — CID 83487153

IUPAC4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine
SMILESClc1ccc(CCC2CCNCC2)s1
InChIInChI=1S/C11H16ClNS/c12-11-4-3-10(14-11)2-1-9-5-7-13-8-6-9/h3-4,9,13H,1-2,5-8H2
InChIKeyCHNJHKVUEUPKSL-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.33
Rot. Bonds3

About 4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine

4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine (PubChem CID 83487153) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine
PubChem CID83487153
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine
SMILESClc1ccc(CCC2CCNCC2)s1
InChIInChI=1S/C11H16ClNS/c12-11-4-3-10(14-11)2-1-9-5-7-13-8-6-9/h3-4,9,13H,1-2,5-8H2
InChIKeyCHNJHKVUEUPKSL-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378
1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583465
3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451026
3-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824116
3-[2-(5-chlorothiophen-2-yl)ethyl]-2-piperidin-4-ylsulfanylbenzonitrile
CID 91448719
4-(5-chlorothiophen-2-yl)-2-methylbutan-2-ol
CID 82126271
2-(5-chlorothiophen-2-yl)ethanethiol
CID 55275169
3-[(5-chlorothiophen-2-yl)sulfanylmethyl]pyrrolidine
CID 117033083
3-(5-chlorothiophen-2-yl)-1-cyclopropylpropan-1-ol
CID 63357723
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106046741
5-chloro-N-methyl-N-(pyrrolidin-3-ylmethyl)thiophen-2-amine
CID 115208661

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine (CID 83487153) is 4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine is Clc1ccc(CCC2CCNCC2)s1.
What is the InChIKey of 4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine?
The InChIKey is CHNJHKVUEUPKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c12-11-4-3-10(14-11)2-1-9-5-7-13-8-6-9/h3-4,9,13H,1-2,5-8H2.
What are the key properties of 4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine?
4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine has a molecular weight of 229.78 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine is sourced from PubChem (CID 83487153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).