3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine

C17H25NO — CID 70348366

IUPAC3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine
SMILESC=CCOc1cccc(C(C)(C)C2CCCNC2)c1
InChIInChI=1S/C17H25NO/c1-4-11-19-16-9-5-7-14(12-16)17(2,3)15-8-6-10-18-13-15/h4-5,7,9,12,15,18H,1,6,8,10-11,13H2,2-3H3
InChIKeyYDVDIWPWWZEUPJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.53
Rot. Bonds5

About 3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine

3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine (PubChem CID 70348366) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine.

Molecular Properties

Compound Name3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine
PubChem CID70348366
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine
SMILESC=CCOc1cccc(C(C)(C)C2CCCNC2)c1
InChIInChI=1S/C17H25NO/c1-4-11-19-16-9-5-7-14(12-16)17(2,3)15-8-6-10-18-13-15/h4-5,7,9,12,15,18H,1,6,8,10-11,13H2,2-3H3
InChIKeyYDVDIWPWWZEUPJ-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
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 3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine?
The IUPAC name of 3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine (CID 70348366) is 3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine.
What is the SMILES notation for 3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine?
The canonical SMILES for 3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine is C=CCOc1cccc(C(C)(C)C2CCCNC2)c1.
What is the InChIKey of 3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine?
The InChIKey is YDVDIWPWWZEUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-11-19-16-9-5-7-14(12-16)17(2,3)15-8-6-10-18-13-15/h4-5,7,9,12,15,18H,1,6,8,10-11,13H2,2-3H3.
What are the key properties of 3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine?
3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine has a molecular weight of 259.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-prop-2-enoxyphenyl)propan-2-yl]piperidine is sourced from PubChem (CID 70348366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).