1-[(3-phenoxyphenyl)methyl]piperidine

C18H21NO — CID 783490

IUPAC1-[(3-phenoxyphenyl)methyl]piperidine
SMILESc1ccc(Oc2cccc(CN3CCCCC3)c2)cc1
InChIInChI=1S/C18H21NO/c1-3-9-17(10-4-1)20-18-11-7-8-16(14-18)15-19-12-5-2-6-13-19/h1,3-4,7-11,14H,2,5-6,12-13,15H2
InChIKeyMCEZLRUOGAVHFQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.46
Rot. Bonds4

About 1-[(3-phenoxyphenyl)methyl]piperidine

1-[(3-phenoxyphenyl)methyl]piperidine (PubChem CID 783490) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(3-phenoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(3-phenoxyphenyl)methyl]piperidine
PubChem CID783490
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-[(3-phenoxyphenyl)methyl]piperidine
SMILESc1ccc(Oc2cccc(CN3CCCCC3)c2)cc1
InChIInChI=1S/C18H21NO/c1-3-9-17(10-4-1)20-18-11-7-8-16(14-18)15-19-12-5-2-6-13-19/h1,3-4,7-11,14H,2,5-6,12-13,15H2
InChIKeyMCEZLRUOGAVHFQ-UHFFFAOYSA-N
XLogP4.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenoxyphenyl)methyl]piperidine?
The IUPAC name of 1-[(3-phenoxyphenyl)methyl]piperidine (CID 783490) is 1-[(3-phenoxyphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(3-phenoxyphenyl)methyl]piperidine?
The canonical SMILES for 1-[(3-phenoxyphenyl)methyl]piperidine is c1ccc(Oc2cccc(CN3CCCCC3)c2)cc1.
What is the InChIKey of 1-[(3-phenoxyphenyl)methyl]piperidine?
The InChIKey is MCEZLRUOGAVHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-9-17(10-4-1)20-18-11-7-8-16(14-18)15-19-12-5-2-6-13-19/h1,3-4,7-11,14H,2,5-6,12-13,15H2.
What are the key properties of 1-[(3-phenoxyphenyl)methyl]piperidine?
1-[(3-phenoxyphenyl)methyl]piperidine has a molecular weight of 267.37 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenoxyphenyl)methyl]piperidine is sourced from PubChem (CID 783490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).