N-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine

C18H30N2O — CID 105350662

IUPACN-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine
SMILESCCNCCc1ccc(COCCN2CCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-2-19-11-10-17-6-8-18(9-7-17)16-21-15-14-20-12-4-3-5-13-20/h6-9,19H,2-5,10-16H2,1H3
InChIKeyNPXNJZSUAQDOTD-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.84
Rot. Bonds9

About N-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine

N-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine (PubChem CID 105350662) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine
PubChem CID105350662
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine
SMILESCCNCCc1ccc(COCCN2CCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-2-19-11-10-17-6-8-18(9-7-17)16-21-15-14-20-12-4-3-5-13-20/h6-9,19H,2-5,10-16H2,1H3
InChIKeyNPXNJZSUAQDOTD-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.84
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 N-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine (CID 105350662) is N-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine is CCNCCc1ccc(COCCN2CCCCC2)cc1.
What is the InChIKey of N-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine?
The InChIKey is NPXNJZSUAQDOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-19-11-10-17-6-8-18(9-7-17)16-21-15-14-20-12-4-3-5-13-20/h6-9,19H,2-5,10-16H2,1H3.
What are the key properties of N-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine?
N-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine has a molecular weight of 290.45 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(2-piperidin-1-ylethoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 105350662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).