2-[(4-benzylphenoxy)methyl]piperidine

C19H23NO — CID 46888070

IUPAC2-[(4-benzylphenoxy)methyl]piperidine
SMILESc1ccc(Cc2ccc(OCC3CCCCN3)cc2)cc1
InChIInChI=1S/C19H23NO/c1-2-6-16(7-3-1)14-17-9-11-19(12-10-17)21-15-18-8-4-5-13-20-18/h1-3,6-7,9-12,18,20H,4-5,8,13-15H2
InChIKeyYZRAMLLKPOGYCE-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.80
Rot. Bonds5

About 2-[(4-benzylphenoxy)methyl]piperidine

2-[(4-benzylphenoxy)methyl]piperidine (PubChem CID 46888070) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(4-benzylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name2-[(4-benzylphenoxy)methyl]piperidine
PubChem CID46888070
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-[(4-benzylphenoxy)methyl]piperidine
SMILESc1ccc(Cc2ccc(OCC3CCCCN3)cc2)cc1
InChIInChI=1S/C19H23NO/c1-2-6-16(7-3-1)14-17-9-11-19(12-10-17)21-15-18-8-4-5-13-20-18/h1-3,6-7,9-12,18,20H,4-5,8,13-15H2
InChIKeyYZRAMLLKPOGYCE-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylphenoxy)methyl]piperidine?
The IUPAC name of 2-[(4-benzylphenoxy)methyl]piperidine (CID 46888070) is 2-[(4-benzylphenoxy)methyl]piperidine.
What is the SMILES notation for 2-[(4-benzylphenoxy)methyl]piperidine?
The canonical SMILES for 2-[(4-benzylphenoxy)methyl]piperidine is c1ccc(Cc2ccc(OCC3CCCCN3)cc2)cc1.
What is the InChIKey of 2-[(4-benzylphenoxy)methyl]piperidine?
The InChIKey is YZRAMLLKPOGYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-6-16(7-3-1)14-17-9-11-19(12-10-17)21-15-18-8-4-5-13-20-18/h1-3,6-7,9-12,18,20H,4-5,8,13-15H2.
What are the key properties of 2-[(4-benzylphenoxy)methyl]piperidine?
2-[(4-benzylphenoxy)methyl]piperidine has a molecular weight of 281.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylphenoxy)methyl]piperidine is sourced from PubChem (CID 46888070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).