2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C17H30N2S — CID 63503961

IUPAC2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCC1(CC)CCN(CCNCc2ccc(C)s2)CC1
InChIInChI=1S/C17H30N2S/c1-4-17(5-2)8-11-19(12-9-17)13-10-18-14-16-7-6-15(3)20-16/h6-7,18H,4-5,8-14H2,1-3H3
InChIKeyWRFIRXDJDYGTBS-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.05
Rot. Bonds7

About 2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 63503961) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID63503961
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCC1(CC)CCN(CCNCc2ccc(C)s2)CC1
InChIInChI=1S/C17H30N2S/c1-4-17(5-2)8-11-19(12-9-17)13-10-18-14-16-7-6-15(3)20-16/h6-7,18H,4-5,8-14H2,1-3H3
InChIKeyWRFIRXDJDYGTBS-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 63503961) is 2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is CCC1(CC)CCN(CCNCc2ccc(C)s2)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is WRFIRXDJDYGTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-4-17(5-2)8-11-19(12-9-17)13-10-18-14-16-7-6-15(3)20-16/h6-7,18H,4-5,8-14H2,1-3H3.
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 294.51 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 63503961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).