2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde

C17H18N2O2 — CID 22614389

IUPAC2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde
SMILESO=CN1CCNCC1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H18N2O2/c20-12-19-9-8-18-11-16(19)17(21)10-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,12,16,18H,8-11H2
InChIKeyLPSOPMZBVJFYRV-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.38
Rot. Bonds4

About 2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde

2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde (PubChem CID 22614389) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde
PubChem CID22614389
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde
SMILESO=CN1CCNCC1C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H18N2O2/c20-12-19-9-8-18-11-16(19)17(21)10-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,12,16,18H,8-11H2
InChIKeyLPSOPMZBVJFYRV-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde?
The IUPAC name of 2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde (CID 22614389) is 2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde?
The canonical SMILES for 2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde is O=CN1CCNCC1C(=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde?
The InChIKey is LPSOPMZBVJFYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-12-19-9-8-18-11-16(19)17(21)10-14-6-3-5-13-4-1-2-7-15(13)14/h1-7,12,16,18H,8-11H2.
What are the key properties of 2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde?
2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde has a molecular weight of 282.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-ylacetyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 22614389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).