4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine

C20H25NO2 — CID 18723191

IUPAC4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine
SMILESCc1cc(C)cc(Oc2ccc(OC3CCN(C)CC3)cc2)c1
InChIInChI=1S/C20H25NO2/c1-15-12-16(2)14-20(13-15)23-18-6-4-17(5-7-18)22-19-8-10-21(3)11-9-19/h4-7,12-14,19H,8-11H2,1-3H3
InChIKeyVUFUVPMUHOJKFO-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.57
Rot. Bonds4

About 4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine

4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine (PubChem CID 18723191) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine.

Molecular Properties

Compound Name4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine
PubChem CID18723191
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine
SMILESCc1cc(C)cc(Oc2ccc(OC3CCN(C)CC3)cc2)c1
InChIInChI=1S/C20H25NO2/c1-15-12-16(2)14-20(13-15)23-18-6-4-17(5-7-18)22-19-8-10-21(3)11-9-19/h4-7,12-14,19H,8-11H2,1-3H3
InChIKeyVUFUVPMUHOJKFO-UHFFFAOYSA-N
XLogP4.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine?
The IUPAC name of 4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine (CID 18723191) is 4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine.
What is the SMILES notation for 4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine?
The canonical SMILES for 4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine is Cc1cc(C)cc(Oc2ccc(OC3CCN(C)CC3)cc2)c1.
What is the InChIKey of 4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine?
The InChIKey is VUFUVPMUHOJKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-12-16(2)14-20(13-15)23-18-6-4-17(5-7-18)22-19-8-10-21(3)11-9-19/h4-7,12-14,19H,8-11H2,1-3H3.
What are the key properties of 4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine?
4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine has a molecular weight of 311.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethylphenoxy)phenoxy]-1-methylpiperidine is sourced from PubChem (CID 18723191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).