1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine

C18H26NO5P — CID 102119294

IUPAC1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine
SMILESCCOP(=O)(OCC)/C(=C\c1ccc2c(c1)OCO2)N1CCCCC1
InChIInChI=1S/C18H26NO5P/c1-3-23-25(20,24-4-2)18(19-10-6-5-7-11-19)13-15-8-9-16-17(12-15)22-14-21-16/h8-9,12-13H,3-7,10-11,14H2,1-2H3/b18-13-
InChIKeyFMBMGPTZWNCELX-AQTBWJFISA-N
MW367.38 g/mol
LogP4.47
Rot. Bonds7

About 1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine

1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine (PubChem CID 102119294) has the molecular formula C18H26NO5P and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine.

Molecular Properties

Compound Name1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine
PubChem CID102119294
Molecular FormulaC18H26NO5P
Molecular Weight367.38 g/mol
Exact Mass367.15
IUPAC Name1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine
SMILESCCOP(=O)(OCC)/C(=C\c1ccc2c(c1)OCO2)N1CCCCC1
InChIInChI=1S/C18H26NO5P/c1-3-23-25(20,24-4-2)18(19-10-6-5-7-11-19)13-15-8-9-16-17(12-15)22-14-21-16/h8-9,12-13H,3-7,10-11,14H2,1-2H3/b18-13-
InChIKeyFMBMGPTZWNCELX-AQTBWJFISA-N
XLogP4.47
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine?
The IUPAC name of 1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine (CID 102119294) is 1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine.
What is the SMILES notation for 1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine?
The canonical SMILES for 1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine is CCOP(=O)(OCC)/C(=C\c1ccc2c(c1)OCO2)N1CCCCC1.
What is the InChIKey of 1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine?
The InChIKey is FMBMGPTZWNCELX-AQTBWJFISA-N. The full InChI is InChI=1S/C18H26NO5P/c1-3-23-25(20,24-4-2)18(19-10-6-5-7-11-19)13-15-8-9-16-17(12-15)22-14-21-16/h8-9,12-13H,3-7,10-11,14H2,1-2H3/b18-13-.
What are the key properties of 1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine?
1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine has a molecular weight of 367.38 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(1,3-benzodioxol-5-yl)-1-diethoxyphosphorylethenyl]piperidine is sourced from PubChem (CID 102119294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).