1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride

C11H18Cl2N2S — CID 119923162

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(Cc2ccc(Cl)s2)CC1.Cl
InChIInChI=1S/C11H17ClN2S.ClH/c1-13-9-4-6-14(7-5-9)8-10-2-3-11(12)15-10;/h2-3,9,13H,4-8H2,1H3;1H
InChIKeyVDQNQNROFCLILR-UHFFFAOYSA-N
MW281.25 g/mol
LogP3.01
Rot. Bonds3

About 1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride

1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 119923162) has the molecular formula C11H18Cl2N2S and a molecular weight of 281.25 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
PubChem CID119923162
Molecular FormulaC11H18Cl2N2S
Molecular Weight281.25 g/mol
Exact Mass280.06
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(Cc2ccc(Cl)s2)CC1.Cl
InChIInChI=1S/C11H17ClN2S.ClH/c1-13-9-4-6-14(7-5-9)8-10-2-3-11(12)15-10;/h2-3,9,13H,4-8H2,1H3;1H
InChIKeyVDQNQNROFCLILR-UHFFFAOYSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride 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-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol
CID 51080740
1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917354
1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile
CID 48940786
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 30963137
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30962910
1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine
CID 29275585
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46700299
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 113260642
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 60820296

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride (CID 119923162) is 1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride is CNC1CCN(Cc2ccc(Cl)s2)CC1.Cl.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is VDQNQNROFCLILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S.ClH/c1-13-9-4-6-14(7-5-9)8-10-2-3-11(12)15-10;/h2-3,9,13H,4-8H2,1H3;1H.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride?
1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride has a molecular weight of 281.25 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119923162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).