1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine

C24H23N — CID 86044345

IUPAC1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine
SMILESC(#CC(c1cccc2ccccc12)N1CCCCC1)c1ccccc1
InChIInChI=1S/C24H23N/c1-3-10-20(11-4-1)16-17-24(25-18-7-2-8-19-25)23-15-9-13-21-12-5-6-14-22(21)23/h1,3-6,9-15,24H,2,7-8,18-19H2
InChIKeyAEOZPADVYCDSNJ-UHFFFAOYSA-N
MW325.46 g/mol
LogP5.42
Rot. Bonds2

About 1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine

1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine (PubChem CID 86044345) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine.

Molecular Properties

Compound Name1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine
PubChem CID86044345
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC Name1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine
SMILESC(#CC(c1cccc2ccccc12)N1CCCCC1)c1ccccc1
InChIInChI=1S/C24H23N/c1-3-10-20(11-4-1)16-17-24(25-18-7-2-8-19-25)23-15-9-13-21-12-5-6-14-22(21)23/h1,3-6,9-15,24H,2,7-8,18-19H2
InChIKeyAEOZPADVYCDSNJ-UHFFFAOYSA-N
XLogP5.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine?
The IUPAC name of 1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine (CID 86044345) is 1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine.
What is the SMILES notation for 1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine?
The canonical SMILES for 1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine is C(#CC(c1cccc2ccccc12)N1CCCCC1)c1ccccc1.
What is the InChIKey of 1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine?
The InChIKey is AEOZPADVYCDSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N/c1-3-10-20(11-4-1)16-17-24(25-18-7-2-8-19-25)23-15-9-13-21-12-5-6-14-22(21)23/h1,3-6,9-15,24H,2,7-8,18-19H2.
What are the key properties of 1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine?
1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine has a molecular weight of 325.46 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-1-yl-3-phenylprop-2-ynyl)piperidine is sourced from PubChem (CID 86044345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).