N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine

C14H23ClN2S — CID 78823684

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCN(CCC1CCCCN1C)Cc1ccc(Cl)s1
InChIInChI=1S/C14H23ClN2S/c1-16(11-13-6-7-14(15)18-13)10-8-12-5-3-4-9-17(12)2/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyMRCZNCDFTULCNZ-UHFFFAOYSA-N
MW286.87 g/mol
LogP3.71
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 78823684) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine
PubChem CID78823684
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCN(CCC1CCCCN1C)Cc1ccc(Cl)s1
InChIInChI=1S/C14H23ClN2S/c1-16(11-13-6-7-14(15)18-13)10-8-12-5-3-4-9-17(12)2/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyMRCZNCDFTULCNZ-UHFFFAOYSA-N
XLogP3.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine 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

1-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 75428499
1-[(5-Chlorothiophen-2-yl)methyl]piperazine
CID 2455012
Cambridge id 5425530
CID 757773
1-[(5-Methylthiophen-2-yl)methyl]piperidine
CID 71347301
N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 764547
5-Ethyl-2-piperidinomethylthiophene
CID 129803206
1-methyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
CID 43215936
1,1-Dimethyl-2-thiophen-2-ylpiperidin-1-ium chloride
CID 13810972
(5-Piperidinomethyl-2-thienyl)butane
CID 129803181
2-(Chlormethyl)5-chlorothiophene
CID 129878207
N-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 134927136
2-(5-Chlorothiophen-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 43362657

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine (CID 78823684) is N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine is CN(CCC1CCCCN1C)Cc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is MRCZNCDFTULCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2S/c1-16(11-13-6-7-14(15)18-13)10-8-12-5-3-4-9-17(12)2/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 286.87 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 78823684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).