3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine

C20H25NO — CID 2846132

IUPAC3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine
SMILESCC1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C20H25NO/c1-17-6-5-13-21(14-17)15-18-9-11-20(12-10-18)22-16-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3
InChIKeyUTVPIKGLRUSJLF-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.50
Rot. Bonds5

About 3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine

3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine (PubChem CID 2846132) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine
PubChem CID2846132
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine
SMILESCC1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C20H25NO/c1-17-6-5-13-21(14-17)15-18-9-11-20(12-10-18)22-16-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3
InChIKeyUTVPIKGLRUSJLF-UHFFFAOYSA-N
XLogP4.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine?
The IUPAC name of 3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine (CID 2846132) is 3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine?
The canonical SMILES for 3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine is CC1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1.
What is the InChIKey of 3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine?
The InChIKey is UTVPIKGLRUSJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-17-6-5-13-21(14-17)15-18-9-11-20(12-10-18)22-16-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3.
What are the key properties of 3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine?
3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine has a molecular weight of 295.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-phenylmethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 2846132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).