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

C14H24N2OS — CID 80729917

IUPAC[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1COCCN1CCCCC1
InChIInChI=1S/C14H24N2OS/c1-12-13(9-14(10-15)18-12)11-17-8-7-16-5-3-2-4-6-16/h9H,2-8,10-11,15H2,1H3
InChIKeyOJRWNJFKHTYJKL-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.52
Rot. Bonds6

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

[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine (PubChem CID 80729917) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is [5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine
PubChem CID80729917
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine
SMILESCc1sc(CN)cc1COCCN1CCCCC1
InChIInChI=1S/C14H24N2OS/c1-12-13(9-14(10-15)18-12)11-17-8-7-16-5-3-2-4-6-16/h9H,2-8,10-11,15H2,1H3
InChIKeyOJRWNJFKHTYJKL-UHFFFAOYSA-N
XLogP2.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine (CID 80729917) is [5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine is Cc1sc(CN)cc1COCCN1CCCCC1.
What is the InChIKey of [5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine?
The InChIKey is OJRWNJFKHTYJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-12-13(9-14(10-15)18-12)11-17-8-7-16-5-3-2-4-6-16/h9H,2-8,10-11,15H2,1H3.
What are the key properties of [5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine?
[5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine has a molecular weight of 268.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(2-piperidin-1-ylethoxymethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 80729917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).