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

C18H30N2O — CID 46890555

IUPACN-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-3-19(4-2)16-17-8-10-18(11-9-17)21-15-14-20-12-6-5-7-13-20/h8-11H,3-7,12-16H2,1-2H3
InChIKeyYSGYMENPRIAWFW-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.39
Rot. Bonds8

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

N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine (PubChem CID 46890555) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
PubChem CID46890555
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-3-19(4-2)16-17-8-10-18(11-9-17)21-15-14-20-12-6-5-7-13-20/h8-11H,3-7,12-16H2,1-2H3
InChIKeyYSGYMENPRIAWFW-UHFFFAOYSA-N
XLogP3.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine
CID 46890597
2-[2-hydroxyethyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]ethanol
CID 10990902
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
N-ethyl-N-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
CID 71034556
1-[2-(4-propylphenoxy)ethyl]pyrrolidine
CID 54244276
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
N,N-dimethyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine;dihydrochloride
CID 3079543
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
1-[4-[2-(azepan-1-yl)ethoxy]phenyl]propan-2-one
CID 70526687

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine (CID 46890555) is N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine?
The InChIKey is YSGYMENPRIAWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-19(4-2)16-17-8-10-18(11-9-17)21-15-14-20-12-6-5-7-13-20/h8-11H,3-7,12-16H2,1-2H3.
What are the key properties of N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine?
N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 46890555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).