4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine

C17H25NO2 — CID 95862588

IUPAC4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine
SMILESCc1ccccc1OC1CCN(C[C@@H]2CCOC2)CC1
InChIInChI=1S/C17H25NO2/c1-14-4-2-3-5-17(14)20-16-6-9-18(10-7-16)12-15-8-11-19-13-15/h2-5,15-16H,6-13H2,1H3/t15-/m0/s1
InChIKeySGIVLGIXRYEJEE-HNNXBMFYSA-N
MW275.39 g/mol
LogP2.87
Rot. Bonds4

About 4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine

4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine (PubChem CID 95862588) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine.

Molecular Properties

Compound Name4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine
PubChem CID95862588
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine
SMILESCc1ccccc1OC1CCN(C[C@@H]2CCOC2)CC1
InChIInChI=1S/C17H25NO2/c1-14-4-2-3-5-17(14)20-16-6-9-18(10-7-16)12-15-8-11-19-13-15/h2-5,15-16H,6-13H2,1H3/t15-/m0/s1
InChIKeySGIVLGIXRYEJEE-HNNXBMFYSA-N
XLogP2.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine 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 4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine?
The IUPAC name of 4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine (CID 95862588) is 4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine.
What is the SMILES notation for 4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine?
The canonical SMILES for 4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine is Cc1ccccc1OC1CCN(C[C@@H]2CCOC2)CC1.
What is the InChIKey of 4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine?
The InChIKey is SGIVLGIXRYEJEE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14-4-2-3-5-17(14)20-16-6-9-18(10-7-16)12-15-8-11-19-13-15/h2-5,15-16H,6-13H2,1H3/t15-/m0/s1.
What are the key properties of 4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine?
4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine has a molecular weight of 275.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-1-[[(3S)-oxolan-3-yl]methyl]piperidine is sourced from PubChem (CID 95862588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).