1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine

C23H29NO — CID 70181617

IUPAC1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine
SMILESCN1CCC(c2ccccc2)C(COc2cccc3c2CCCC3)C1
InChIInChI=1S/C23H29NO/c1-24-15-14-21(18-8-3-2-4-9-18)20(16-24)17-25-23-13-7-11-19-10-5-6-12-22(19)23/h2-4,7-9,11,13,20-21H,5-6,10,12,14-17H2,1H3
InChIKeyAUCNODRHOGRETQ-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.68
Rot. Bonds4

About 1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine

1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine (PubChem CID 70181617) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine.

Molecular Properties

Compound Name1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine
PubChem CID70181617
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine
SMILESCN1CCC(c2ccccc2)C(COc2cccc3c2CCCC3)C1
InChIInChI=1S/C23H29NO/c1-24-15-14-21(18-8-3-2-4-9-18)20(16-24)17-25-23-13-7-11-19-10-5-6-12-22(19)23/h2-4,7-9,11,13,20-21H,5-6,10,12,14-17H2,1H3
InChIKeyAUCNODRHOGRETQ-UHFFFAOYSA-N
XLogP4.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine?
The IUPAC name of 1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine (CID 70181617) is 1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine.
What is the SMILES notation for 1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine?
The canonical SMILES for 1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine is CN1CCC(c2ccccc2)C(COc2cccc3c2CCCC3)C1.
What is the InChIKey of 1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine?
The InChIKey is AUCNODRHOGRETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-24-15-14-21(18-8-3-2-4-9-18)20(16-24)17-25-23-13-7-11-19-10-5-6-12-22(19)23/h2-4,7-9,11,13,20-21H,5-6,10,12,14-17H2,1H3.
What are the key properties of 1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine?
1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine has a molecular weight of 335.49 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)piperidine is sourced from PubChem (CID 70181617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).