4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine

C24H25NO2 — CID 57115568

IUPAC4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine
SMILESC=COc1cccc(C2CCNCC2OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C24H25NO2/c1-2-26-22-9-5-8-21(15-22)23-12-13-25-16-24(23)27-17-18-10-11-19-6-3-4-7-20(19)14-18/h2-11,14-15,23-25H,1,12-13,16-17H2
InChIKeyLQZXKUGNCRZTPU-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.02
Rot. Bonds6

About 4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine

4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine (PubChem CID 57115568) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine.

Molecular Properties

Compound Name4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine
PubChem CID57115568
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine
SMILESC=COc1cccc(C2CCNCC2OCc2ccc3ccccc3c2)c1
InChIInChI=1S/C24H25NO2/c1-2-26-22-9-5-8-21(15-22)23-12-13-25-16-24(23)27-17-18-10-11-19-6-3-4-7-20(19)14-18/h2-11,14-15,23-25H,1,12-13,16-17H2
InChIKeyLQZXKUGNCRZTPU-UHFFFAOYSA-N
XLogP5.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine?
The IUPAC name of 4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine (CID 57115568) is 4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine.
What is the SMILES notation for 4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine?
The canonical SMILES for 4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine is C=COc1cccc(C2CCNCC2OCc2ccc3ccccc3c2)c1.
What is the InChIKey of 4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine?
The InChIKey is LQZXKUGNCRZTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-2-26-22-9-5-8-21(15-22)23-12-13-25-16-24(23)27-17-18-10-11-19-6-3-4-7-20(19)14-18/h2-11,14-15,23-25H,1,12-13,16-17H2.
What are the key properties of 4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine?
4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine has a molecular weight of 359.47 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethenoxyphenyl)-3-(naphthalen-2-ylmethoxy)piperidine is sourced from PubChem (CID 57115568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).