4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine

C21H27NO — CID 10063954

IUPAC4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine
SMILESCc1cc(C)cc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C21H27NO/c1-17-12-18(2)14-19(13-17)15-23-16-21(8-10-22-11-9-21)20-6-4-3-5-7-20/h3-7,12-14,22H,8-11,15-16H2,1-2H3
InChIKeyONQZWYLATDSONC-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.14
Rot. Bonds5

About 4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine

4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine (PubChem CID 10063954) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine
PubChem CID10063954
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine
SMILESCc1cc(C)cc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C21H27NO/c1-17-12-18(2)14-19(13-17)15-23-16-21(8-10-22-11-9-21)20-6-4-3-5-7-20/h3-7,12-14,22H,8-11,15-16H2,1-2H3
InChIKeyONQZWYLATDSONC-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine (CID 10063954) is 4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine is Cc1cc(C)cc(COCC2(c3ccccc3)CCNCC2)c1.
What is the InChIKey of 4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine?
The InChIKey is ONQZWYLATDSONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-17-12-18(2)14-19(13-17)15-23-16-21(8-10-22-11-9-21)20-6-4-3-5-7-20/h3-7,12-14,22H,8-11,15-16H2,1-2H3.
What are the key properties of 4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine?
4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine has a molecular weight of 309.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenyl)methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 10063954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).