3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine

C12H18ClNS — CID 63388568

IUPAC3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine
SMILESClCCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C12H18ClNS/c13-6-5-11-3-1-7-14(9-11)10-12-4-2-8-15-12/h2,4,8,11H,1,3,5-7,9-10H2
InChIKeyOPSVUZWOMZZFCH-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.59
Rot. Bonds4

About 3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine

3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine (PubChem CID 63388568) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine
PubChem CID63388568
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine
SMILESClCCC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C12H18ClNS/c13-6-5-11-3-1-7-14(9-11)10-12-4-2-8-15-12/h2,4,8,11H,1,3,5-7,9-10H2
InChIKeyOPSVUZWOMZZFCH-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)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

3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
CID 63388749
5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 112644358
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine
CID 63388518
1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine
CID 92689876
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 75534650
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
1-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970535
3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine
CID 102959815
(3R)-1-benzyl-3-(3-chloropropyl)piperidine
CID 97166703

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine?
The IUPAC name of 3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine (CID 63388568) is 3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine.
What is the SMILES notation for 3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine?
The canonical SMILES for 3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine is ClCCC1CCCN(Cc2cccs2)C1.
What is the InChIKey of 3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine?
The InChIKey is OPSVUZWOMZZFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c13-6-5-11-3-1-7-14(9-11)10-12-4-2-8-15-12/h2,4,8,11H,1,3,5-7,9-10H2.
What are the key properties of 3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine?
3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine has a molecular weight of 243.80 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine is sourced from PubChem (CID 63388568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).