1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine

C12H20N2S — CID 116936426

IUPAC1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
SMILESCc1ccsc1C(N)CC1CCCNC1
InChIInChI=1S/C12H20N2S/c1-9-4-6-15-12(9)11(13)7-10-3-2-5-14-8-10/h4,6,10-11,14H,2-3,5,7-8,13H2,1H3
InChIKeySYCZKYWVSPUISE-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.45
Rot. Bonds3

About 1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine

1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine (PubChem CID 116936426) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
PubChem CID116936426
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
SMILESCc1ccsc1C(N)CC1CCCNC1
InChIInChI=1S/C12H20N2S/c1-9-4-6-15-12(9)11(13)7-10-3-2-5-14-8-10/h4,6,10-11,14H,2-3,5,7-8,13H2,1H3
InChIKeySYCZKYWVSPUISE-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylthiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936534
N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116951777
2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936414
1-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-3-ylethanamine
CID 116936357
2-cyclobutyl-1-(3-ethylthiophen-2-yl)ethanamine
CID 115863467
1-(4-chlorophenyl)-2-piperidin-3-ylethanamine
CID 116936332
N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine
CID 116906601
[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105310138
2-pyrrolidin-3-yl-1-thiophen-2-ylethanamine
CID 116936073
[2-cyclopentyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105299133
2-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988031
1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine
CID 116936338

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine (CID 116936426) is 1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine is Cc1ccsc1C(N)CC1CCCNC1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine?
The InChIKey is SYCZKYWVSPUISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-4-6-15-12(9)11(13)7-10-3-2-5-14-8-10/h4,6,10-11,14H,2-3,5,7-8,13H2,1H3.
What are the key properties of 1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine?
1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine has a molecular weight of 224.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine is sourced from PubChem (CID 116936426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).