4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine

C22H27NO — CID 2053518

IUPAC4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine
SMILESC=CCOc1ccccc1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H27NO/c1-2-16-24-22-11-7-6-10-21(22)18-23-14-12-20(13-15-23)17-19-8-4-3-5-9-19/h2-11,20H,1,12-18H2
InChIKeyUOUCABRMBCXRKU-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.71
Rot. Bonds7

About 4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine

4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine (PubChem CID 2053518) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine
PubChem CID2053518
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine
SMILESC=CCOc1ccccc1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H27NO/c1-2-16-24-22-11-7-6-10-21(22)18-23-14-12-20(13-15-23)17-19-8-4-3-5-9-19/h2-11,20H,1,12-18H2
InChIKeyUOUCABRMBCXRKU-UHFFFAOYSA-N
XLogP4.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine (CID 2053518) is 4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine is C=CCOc1ccccc1CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine?
The InChIKey is UOUCABRMBCXRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c1-2-16-24-22-11-7-6-10-21(22)18-23-14-12-20(13-15-23)17-19-8-4-3-5-9-19/h2-11,20H,1,12-18H2.
What are the key properties of 4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine?
4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine has a molecular weight of 321.46 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(2-prop-2-enoxyphenyl)methyl]piperidine is sourced from PubChem (CID 2053518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).