4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine

C20H25NO — CID 25263316

IUPAC4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine
SMILESCc1cccc(COc2cccc(C3CCNCC3)c2C)c1
InChIInChI=1S/C20H25NO/c1-15-5-3-6-17(13-15)14-22-20-8-4-7-19(16(20)2)18-9-11-21-12-10-18/h3-8,13,18,21H,9-12,14H2,1-2H3
InChIKeyFPVSFLULAWRZQM-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.35
Rot. Bonds4

About 4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine

4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine (PubChem CID 25263316) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine.

Molecular Properties

Compound Name4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine
PubChem CID25263316
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine
SMILESCc1cccc(COc2cccc(C3CCNCC3)c2C)c1
InChIInChI=1S/C20H25NO/c1-15-5-3-6-17(13-15)14-22-20-8-4-7-19(16(20)2)18-9-11-21-12-10-18/h3-8,13,18,21H,9-12,14H2,1-2H3
InChIKeyFPVSFLULAWRZQM-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine?
The IUPAC name of 4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine (CID 25263316) is 4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine.
What is the SMILES notation for 4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine?
The canonical SMILES for 4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine is Cc1cccc(COc2cccc(C3CCNCC3)c2C)c1.
What is the InChIKey of 4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine?
The InChIKey is FPVSFLULAWRZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-15-5-3-6-17(13-15)14-22-20-8-4-7-19(16(20)2)18-9-11-21-12-10-18/h3-8,13,18,21H,9-12,14H2,1-2H3.
What are the key properties of 4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine?
4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine has a molecular weight of 295.43 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-[(3-methylphenyl)methoxy]phenyl]piperidine is sourced from PubChem (CID 25263316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).