N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine

C13H28N2O2 — CID 81056642

IUPACN-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine
SMILESCCOCCN(C)CCCOC1CCNCC1
InChIInChI=1S/C13H28N2O2/c1-3-16-12-10-15(2)9-4-11-17-13-5-7-14-8-6-13/h13-14H,3-12H2,1-2H3
InChIKeyHQNARLXYTVZHAY-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.11
Rot. Bonds9

About N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine

N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine (PubChem CID 81056642) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine
PubChem CID81056642
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine
SMILESCCOCCN(C)CCCOC1CCNCC1
InChIInChI=1S/C13H28N2O2/c1-3-16-12-10-15(2)9-4-11-17-13-5-7-14-8-6-13/h13-14H,3-12H2,1-2H3
InChIKeyHQNARLXYTVZHAY-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.11
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 N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine (CID 81056642) is N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine is CCOCCN(C)CCCOC1CCNCC1.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine?
The InChIKey is HQNARLXYTVZHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-3-16-12-10-15(2)9-4-11-17-13-5-7-14-8-6-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine?
N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methyl-3-piperidin-4-yloxypropan-1-amine is sourced from PubChem (CID 81056642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).