1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine

C19H23N3O — CID 2845963

IUPAC1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESC=CCOc1ccccc1CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N3O/c1-2-15-23-18-8-4-3-7-17(18)16-21-11-13-22(14-12-21)19-9-5-6-10-20-19/h2-10H,1,11-16H2
InChIKeyAXEOPDJJQODHOR-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.97
Rot. Bonds6

About 1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine

1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 2845963) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID2845963
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
SMILESC=CCOc1ccccc1CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23N3O/c1-2-15-23-18-8-4-3-7-17(18)16-21-11-13-22(14-12-21)19-9-5-6-10-20-19/h2-10H,1,11-16H2
InChIKeyAXEOPDJJQODHOR-UHFFFAOYSA-N
XLogP2.97
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.97
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-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine (CID 2845963) is 1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine is C=CCOc1ccccc1CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is AXEOPDJJQODHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-15-23-18-8-4-3-7-17(18)16-21-11-13-22(14-12-21)19-9-5-6-10-20-19/h2-10H,1,11-16H2.
What are the key properties of 1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine?
1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 309.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-prop-2-enoxyphenyl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 2845963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).