2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine

C12H18ClNS — CID 63775037

IUPAC2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine
SMILESClCC1CCCCN1CCc1cccs1
InChIInChI=1S/C12H18ClNS/c13-10-11-4-1-2-7-14(11)8-6-12-5-3-9-15-12/h3,5,9,11H,1-2,4,6-8,10H2
InChIKeyOBCZVIRNFLRJTI-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.38
Rot. Bonds4

About 2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine

2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine (PubChem CID 63775037) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine
PubChem CID63775037
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine
SMILESClCC1CCCCN1CCc1cccs1
InChIInChI=1S/C12H18ClNS/c13-10-11-4-1-2-7-14(11)8-6-12-5-3-9-15-12/h3,5,9,11H,1-2,4,6-8,10H2
InChIKeyOBCZVIRNFLRJTI-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromopropyl)-1-(2-thiophen-2-ylethyl)pyrrolidine
CID 80690784
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thiophen-2-ylethanamine
CID 62575431
2-pyrrolidin-2-yl-1-(2-thiophen-2-ylethyl)piperidine
CID 63775718
3,5-dimethyl-1-[[(2S)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95305451
(2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine
CID 28954884
[4-methoxy-1-(2-thiophen-2-ylethyl)piperidin-2-yl]methanamine
CID 112622527
2-[2-(hydroxymethyl)azepan-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 116637722
2-(chloromethyl)-1-(2-methoxyethyl)piperidine
CID 63386615
1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95758507
ethyl 1-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxylate
CID 55236129
N-methyl-1-[4-(2-thiophen-2-ylethyl)morpholin-3-yl]methanamine
CID 83100391
4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63386661

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine?
The IUPAC name of 2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine (CID 63775037) is 2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine.
What is the SMILES notation for 2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine?
The canonical SMILES for 2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine is ClCC1CCCCN1CCc1cccs1.
What is the InChIKey of 2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine?
The InChIKey is OBCZVIRNFLRJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c13-10-11-4-1-2-7-14(11)8-6-12-5-3-9-15-12/h3,5,9,11H,1-2,4,6-8,10H2.
What are the key properties of 2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine?
2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine has a molecular weight of 243.80 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-thiophen-2-ylethyl)piperidine is sourced from PubChem (CID 63775037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).