2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine

C12H17Cl2NS — CID 63386952

IUPAC2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
SMILESClCCC1CCCCN1Cc1ccc(Cl)s1
InChIInChI=1S/C12H17Cl2NS/c13-7-6-10-3-1-2-8-15(10)9-11-4-5-12(14)16-11/h4-5,10H,1-3,6-9H2
InChIKeyWDRDCGJKEKZDSK-UHFFFAOYSA-N
MW278.25 g/mol
LogP4.38
Rot. Bonds4

About 2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine

2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine (PubChem CID 63386952) has the molecular formula C12H17Cl2NS and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
PubChem CID63386952
Molecular FormulaC12H17Cl2NS
Molecular Weight278.25 g/mol
Exact Mass277.05
IUPAC Name2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
SMILESClCCC1CCCCN1Cc1ccc(Cl)s1
InChIInChI=1S/C12H17Cl2NS/c13-7-6-10-3-1-2-8-15(10)9-11-4-5-12(14)16-11/h4-5,10H,1-3,6-9H2
InChIKeyWDRDCGJKEKZDSK-UHFFFAOYSA-N
XLogP4.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine
CID 63388616
2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine
CID 63386907
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
N-[[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 55092364
1-[(5-chlorothiophen-2-yl)methyl]-2-phenylpyrrolidine
CID 55506302
2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine
CID 80671588
1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine
CID 83062360
2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine
CID 103049964
1-[(3-bromophenyl)methyl]-2-(2-chloroethyl)piperidine
CID 63386960
1,2-bis(2-chloroethyl)piperidine;hydrochloride
CID 57362051
5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide
CID 55214588
methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate
CID 55134425

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine?
The IUPAC name of 2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine (CID 63386952) is 2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine?
The canonical SMILES for 2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine is ClCCC1CCCCN1Cc1ccc(Cl)s1.
What is the InChIKey of 2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine?
The InChIKey is WDRDCGJKEKZDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NS/c13-7-6-10-3-1-2-8-15(10)9-11-4-5-12(14)16-11/h4-5,10H,1-3,6-9H2.
What are the key properties of 2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine?
2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine has a molecular weight of 278.25 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 63386952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).