1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine

C19H30N2O2 — CID 44563697

IUPAC1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine
SMILESCOc1cccc(OCCN2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C19H30N2O2/c1-22-18-6-5-7-19(16-18)23-15-14-20-12-8-17(9-13-20)21-10-3-2-4-11-21/h5-7,16-17H,2-4,8-15H2,1H3
InChIKeyQKZVONCDFPKLFN-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.02
Rot. Bonds6

About 1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine

1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine (PubChem CID 44563697) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine
PubChem CID44563697
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine
SMILESCOc1cccc(OCCN2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C19H30N2O2/c1-22-18-6-5-7-19(16-18)23-15-14-20-12-8-17(9-13-20)21-10-3-2-4-11-21/h5-7,16-17H,2-4,8-15H2,1H3
InChIKeyQKZVONCDFPKLFN-UHFFFAOYSA-N
XLogP3.02
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine 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 1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine (CID 44563697) is 1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine is COc1cccc(OCCN2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine?
The InChIKey is QKZVONCDFPKLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-22-18-6-5-7-19(16-18)23-15-14-20-12-8-17(9-13-20)21-10-3-2-4-11-21/h5-7,16-17H,2-4,8-15H2,1H3.
What are the key properties of 1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine?
1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine has a molecular weight of 318.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenoxy)ethyl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 44563697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).