[5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine

C13H22N2S — CID 80727522

IUPAC[5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1CN1CCC(C)CC1
InChIInChI=1S/C13H22N2S/c1-10-3-5-15(6-4-10)9-12-7-13(8-14)16-11(12)2/h7,10H,3-6,8-9,14H2,1-2H3
InChIKeyJSQDJBASZKVIKW-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.75
Rot. Bonds3

About [5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine

[5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine (PubChem CID 80727522) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is [5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
PubChem CID80727522
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name[5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1CN1CCC(C)CC1
InChIInChI=1S/C13H22N2S/c1-10-3-5-15(6-4-10)9-12-7-13(8-14)16-11(12)2/h7,10H,3-6,8-9,14H2,1-2H3
InChIKeyJSQDJBASZKVIKW-UHFFFAOYSA-N
XLogP2.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-4-[(4-methylsulfanylazepan-1-yl)methyl]thiophen-2-yl]methanamine
CID 114238335
[4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728525
[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
CID 80729487
N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80728289
[4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729947
[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80719354
[5-methyl-4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiophen-2-yl]methanamine
CID 80729106
N-methyl-1-[5-methyl-4-[(4-propylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80727670
N-methyl-1-[5-methyl-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 80728999
1-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 80719747
N-[[5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 103503337
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine (CID 80727522) is [5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine is Cc1sc(CN)cc1CN1CCC(C)CC1.
What is the InChIKey of [5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine?
The InChIKey is JSQDJBASZKVIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-3-5-15(6-4-10)9-12-7-13(8-14)16-11(12)2/h7,10H,3-6,8-9,14H2,1-2H3.
What are the key properties of [5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine?
[5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine has a molecular weight of 238.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[(4-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 80727522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).