1-[2-(4-methylphenoxy)ethyl]-4-piperidin-1-ylpiperidine

C19H30N2O — CID 44563700

IUPAC1-[2-(4-methylphenoxy)ethyl]-4-piperidin-1-ylpiperidine
SMILESCc1ccc(OCCN2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H30N2O/c1-17-5-7-19(8-6-17)22-16-15-20-13-9-18(10-14-20)21-11-3-2-4-12-21/h5-8,18H,2-4,9-16H2,1H3
InChIKeyKTMFRXQWINHOMR-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.32
Rot. Bonds5

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

1-[2-(4-methylphenoxy)ethyl]-4-piperidin-1-ylpiperidine (PubChem CID 44563700) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)ethyl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)ethyl]-4-piperidin-1-ylpiperidine
PubChem CID44563700
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-[2-(4-methylphenoxy)ethyl]-4-piperidin-1-ylpiperidine
SMILESCc1ccc(OCCN2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H30N2O/c1-17-5-7-19(8-6-17)22-16-15-20-13-9-18(10-14-20)21-11-3-2-4-12-21/h5-8,18H,2-4,9-16H2,1H3
InChIKeyKTMFRXQWINHOMR-UHFFFAOYSA-N
XLogP3.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-methylphenoxy)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-(4-methylphenoxy)ethyl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[2-(4-methylphenoxy)ethyl]-4-piperidin-1-ylpiperidine (CID 44563700) is 1-[2-(4-methylphenoxy)ethyl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[2-(4-methylphenoxy)ethyl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[2-(4-methylphenoxy)ethyl]-4-piperidin-1-ylpiperidine is Cc1ccc(OCCN2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[2-(4-methylphenoxy)ethyl]-4-piperidin-1-ylpiperidine?
The InChIKey is KTMFRXQWINHOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-17-5-7-19(8-6-17)22-16-15-20-13-9-18(10-14-20)21-11-3-2-4-12-21/h5-8,18H,2-4,9-16H2,1H3.
What are the key properties of 1-[2-(4-methylphenoxy)ethyl]-4-piperidin-1-ylpiperidine?
1-[2-(4-methylphenoxy)ethyl]-4-piperidin-1-ylpiperidine has a molecular weight of 302.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)ethyl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 44563700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).