1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine

C18H23NO — CID 155289569

IUPAC1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine
SMILESC#CCOc1c(CC=C)cccc1CN1CCCCC1
InChIInChI=1S/C18H23NO/c1-3-9-16-10-8-11-17(18(16)20-14-4-2)15-19-12-6-5-7-13-19/h2-3,8,10-11H,1,5-7,9,12-15H2
InChIKeyQDVWDYBYYFRONT-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.41
Rot. Bonds6

About 1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine

1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine (PubChem CID 155289569) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine
PubChem CID155289569
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine
SMILESC#CCOc1c(CC=C)cccc1CN1CCCCC1
InChIInChI=1S/C18H23NO/c1-3-9-16-10-8-11-17(18(16)20-14-4-2)15-19-12-6-5-7-13-19/h2-3,8,10-11H,1,5-7,9,12-15H2
InChIKeyQDVWDYBYYFRONT-UHFFFAOYSA-N
XLogP3.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine?
The IUPAC name of 1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine (CID 155289569) is 1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine?
The canonical SMILES for 1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine is C#CCOc1c(CC=C)cccc1CN1CCCCC1.
What is the InChIKey of 1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine?
The InChIKey is QDVWDYBYYFRONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-9-16-10-8-11-17(18(16)20-14-4-2)15-19-12-6-5-7-13-19/h2-3,8,10-11H,1,5-7,9,12-15H2.
What are the key properties of 1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine?
1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine has a molecular weight of 269.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-prop-2-enyl-2-prop-2-ynoxyphenyl)methyl]piperidine is sourced from PubChem (CID 155289569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).