(1-benzylpiperidin-4-yl) prop-2-enyl carbonate

C16H21NO3 — CID 11242829

IUPAC(1-benzylpiperidin-4-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c1-2-12-19-16(18)20-15-8-10-17(11-9-15)13-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2
InChIKeyVCVNDRWFGXIHSF-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.99
Rot. Bonds5

About (1-benzylpiperidin-4-yl) prop-2-enyl carbonate

(1-benzylpiperidin-4-yl) prop-2-enyl carbonate (PubChem CID 11242829) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl) prop-2-enyl carbonate
PubChem CID11242829
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(1-benzylpiperidin-4-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c1-2-12-19-16(18)20-15-8-10-17(11-9-15)13-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2
InChIKeyVCVNDRWFGXIHSF-UHFFFAOYSA-N
XLogP2.99
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (1-benzylpiperidin-4-yl) prop-2-enyl carbonate?
The IUPAC name of (1-benzylpiperidin-4-yl) prop-2-enyl carbonate (CID 11242829) is (1-benzylpiperidin-4-yl) prop-2-enyl carbonate.
What is the SMILES notation for (1-benzylpiperidin-4-yl) prop-2-enyl carbonate?
The canonical SMILES for (1-benzylpiperidin-4-yl) prop-2-enyl carbonate is C=CCOC(=O)OC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylpiperidin-4-yl) prop-2-enyl carbonate?
The InChIKey is VCVNDRWFGXIHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-12-19-16(18)20-15-8-10-17(11-9-15)13-14-6-4-3-5-7-14/h2-7,15H,1,8-13H2.
What are the key properties of (1-benzylpiperidin-4-yl) prop-2-enyl carbonate?
(1-benzylpiperidin-4-yl) prop-2-enyl carbonate has a molecular weight of 275.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl) prop-2-enyl carbonate is sourced from PubChem (CID 11242829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).