3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine

C20H24ClNO — CID 5011178

IUPAC3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine
SMILESCN1CCCC(COC(c2ccccc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H24ClNO/c1-22-13-5-6-16(14-22)15-23-20(17-7-3-2-4-8-17)18-9-11-19(21)12-10-18/h2-4,7-12,16,20H,5-6,13-15H2,1H3
InChIKeyFSULOHBURLKXQS-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.79
Rot. Bonds5

About 3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine

3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine (PubChem CID 5011178) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine
PubChem CID5011178
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine
SMILESCN1CCCC(COC(c2ccccc2)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H24ClNO/c1-22-13-5-6-16(14-22)15-23-20(17-7-3-2-4-8-17)18-9-11-19(21)12-10-18/h2-4,7-12,16,20H,5-6,13-15H2,1H3
InChIKeyFSULOHBURLKXQS-UHFFFAOYSA-N
XLogP4.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine?
The IUPAC name of 3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine (CID 5011178) is 3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine.
What is the SMILES notation for 3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine?
The canonical SMILES for 3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine is CN1CCCC(COC(c2ccccc2)c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine?
The InChIKey is FSULOHBURLKXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-22-13-5-6-16(14-22)15-23-20(17-7-3-2-4-8-17)18-9-11-19(21)12-10-18/h2-4,7-12,16,20H,5-6,13-15H2,1H3.
What are the key properties of 3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine?
3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine has a molecular weight of 329.87 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chlorophenyl)-phenylmethoxy]methyl]-1-methylpiperidine is sourced from PubChem (CID 5011178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).