N,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine

C18H30N2O — CID 11808427

IUPACN,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-3-19(4-2)14-15-21-18-10-8-17(9-11-18)16-20-12-6-5-7-13-20/h8-11H,3-7,12-16H2,1-2H3
InChIKeyCZXWJRBEKBQWJO-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.39
Rot. Bonds8

About N,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine

N,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine (PubChem CID 11808427) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine
PubChem CID11808427
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-3-19(4-2)14-15-21-18-10-8-17(9-11-18)16-20-12-6-5-7-13-20/h8-11H,3-7,12-16H2,1-2H3
InChIKeyCZXWJRBEKBQWJO-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

Analyze N,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine (CID 11808427) is N,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine is CCN(CC)CCOc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine?
The InChIKey is CZXWJRBEKBQWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-19(4-2)14-15-21-18-10-8-17(9-11-18)16-20-12-6-5-7-13-20/h8-11H,3-7,12-16H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine?
N,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]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,N-diethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine is sourced from PubChem (CID 11808427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).