4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine

C28H29NO2 — CID 18621602

IUPAC4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine
SMILESC(=C/c1ccccc1)\CN1CCC(CCOc2ccc3oc4ccccc4c3c2)CC1
InChIInChI=1S/C28H29NO2/c1-2-7-22(8-3-1)9-6-17-29-18-14-23(15-19-29)16-20-30-24-12-13-28-26(21-24)25-10-4-5-11-27(25)31-28/h1-13,21,23H,14-20H2/b9-6+
InChIKeyXCERPMRDARKWSS-RMKNXTFCSA-N
MW411.55 g/mol
LogP6.78
Rot. Bonds7

About 4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine

4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine (PubChem CID 18621602) has the molecular formula C28H29NO2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine.

Molecular Properties

Compound Name4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine
PubChem CID18621602
Molecular FormulaC28H29NO2
Molecular Weight411.55 g/mol
Exact Mass411.22
IUPAC Name4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine
SMILESC(=C/c1ccccc1)\CN1CCC(CCOc2ccc3oc4ccccc4c3c2)CC1
InChIInChI=1S/C28H29NO2/c1-2-7-22(8-3-1)9-6-17-29-18-14-23(15-19-29)16-20-30-24-12-13-28-26(21-24)25-10-4-5-11-27(25)31-28/h1-13,21,23H,14-20H2/b9-6+
InChIKeyXCERPMRDARKWSS-RMKNXTFCSA-N
XLogP6.78
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3,4-dichlorophenoxy)ethyl]-1-[(E)-3-phenylprop-2-enyl]piperidine;oxalic acid
CID 70054801
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513
2-(2-dibenzofuran-2-yloxyethyl)-1-pentylpiperidine;oxalic acid
CID 70057119
4-dibenzofuran-2-yloxybut-2-enoic acid
CID 76940836
2-(6-bromohexoxy)dibenzofuran
CID 102246595
7-butoxy-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 118149901
1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377016
2-dibenzofuran-2-yloxy-N-ethylethanamine
CID 55152660
1-[(E)-3-[4-(3-phenylpropoxy)phenyl]prop-2-enyl]piperidine-4-carboxylic acid;hydrochloride
CID 66852517
2-[1-(3-phenylprop-2-enyl)piperidin-4-yl]isoindol-1-ol
CID 54525404
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine?
The IUPAC name of 4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine (CID 18621602) is 4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine.
What is the SMILES notation for 4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine?
The canonical SMILES for 4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine is C(=C/c1ccccc1)\CN1CCC(CCOc2ccc3oc4ccccc4c3c2)CC1.
What is the InChIKey of 4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine?
The InChIKey is XCERPMRDARKWSS-RMKNXTFCSA-N. The full InChI is InChI=1S/C28H29NO2/c1-2-7-22(8-3-1)9-6-17-29-18-14-23(15-19-29)16-20-30-24-12-13-28-26(21-24)25-10-4-5-11-27(25)31-28/h1-13,21,23H,14-20H2/b9-6+.
What are the key properties of 4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine?
4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine has a molecular weight of 411.55 g/mol, XLogP of 6.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-dibenzofuran-2-yloxyethyl)-1-[(E)-3-phenylprop-2-enyl]piperidine is sourced from PubChem (CID 18621602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).