2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine

C14H30N2O — CID 55056082

IUPAC2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CN1CCC(OCC)CC1
InChIInChI=1S/C14H30N2O/c1-4-8-14(3,11-15)12-16-9-6-13(7-10-16)17-5-2/h13H,4-12,15H2,1-3H3
InChIKeyGRNNMXOIIWJIDU-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds7

About 2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine

2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine (PubChem CID 55056082) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine
PubChem CID55056082
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CN1CCC(OCC)CC1
InChIInChI=1S/C14H30N2O/c1-4-8-14(3,11-15)12-16-9-6-13(7-10-16)17-5-2/h13H,4-12,15H2,1-3H3
InChIKeyGRNNMXOIIWJIDU-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine?
The IUPAC name of 2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine (CID 55056082) is 2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine.
What is the SMILES notation for 2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine?
The canonical SMILES for 2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine is CCCC(C)(CN)CN1CCC(OCC)CC1.
What is the InChIKey of 2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine?
The InChIKey is GRNNMXOIIWJIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-8-14(3,11-15)12-16-9-6-13(7-10-16)17-5-2/h13H,4-12,15H2,1-3H3.
What are the key properties of 2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine?
2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylpentan-1-amine is sourced from PubChem (CID 55056082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).