1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine

C12H18Cl2N2S — CID 120847183

IUPAC1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2csc(Cl)c2Cl)CCC1N
InChIInChI=1S/C12H18Cl2N2S/c1-12(2)7-16(4-3-9(12)15)5-8-6-17-11(14)10(8)13/h6,9H,3-5,7,15H2,1-2H3
InChIKeyAXFYSMVMIGPKIK-UHFFFAOYSA-N
MW293.26 g/mol
LogP3.61
Rot. Bonds2

About 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine

1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120847183) has the molecular formula C12H18Cl2N2S and a molecular weight of 293.26 g/mol. Its IUPAC name is 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120847183
Molecular FormulaC12H18Cl2N2S
Molecular Weight293.26 g/mol
Exact Mass292.06
IUPAC Name1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(Cc2csc(Cl)c2Cl)CCC1N
InChIInChI=1S/C12H18Cl2N2S/c1-12(2)7-16(4-3-9(12)15)5-8-6-17-11(14)10(8)13/h6,9H,3-5,7,15H2,1-2H3
InChIKeyAXFYSMVMIGPKIK-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120837575
1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774160
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine
CID 120838226
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120838225
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781953
1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775728
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120774960
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781982
3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 120781587
3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 120782277
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine (CID 120847183) is 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine is CC1(C)CN(Cc2csc(Cl)c2Cl)CCC1N.
What is the InChIKey of 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is AXFYSMVMIGPKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2S/c1-12(2)7-16(4-3-9(12)15)5-8-6-17-11(14)10(8)13/h6,9H,3-5,7,15H2,1-2H3.
What are the key properties of 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine?
1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 293.26 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120847183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).