1-(3-methoxy-3-phenylpent-4-ynyl)piperidine

C17H23NO — CID 2835439

IUPAC1-(3-methoxy-3-phenylpent-4-ynyl)piperidine
SMILESC#CC(CCN1CCCCC1)(OC)c1ccccc1
InChIInChI=1S/C17H23NO/c1-3-17(19-2,16-10-6-4-7-11-16)12-15-18-13-8-5-9-14-18/h1,4,6-7,10-11H,5,8-9,12-15H2,2H3
InChIKeyQYOQSDDGMRFXST-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.04
Rot. Bonds5

About 1-(3-methoxy-3-phenylpent-4-ynyl)piperidine

1-(3-methoxy-3-phenylpent-4-ynyl)piperidine (PubChem CID 2835439) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(3-methoxy-3-phenylpent-4-ynyl)piperidine.

Molecular Properties

Compound Name1-(3-methoxy-3-phenylpent-4-ynyl)piperidine
PubChem CID2835439
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-(3-methoxy-3-phenylpent-4-ynyl)piperidine
SMILESC#CC(CCN1CCCCC1)(OC)c1ccccc1
InChIInChI=1S/C17H23NO/c1-3-17(19-2,16-10-6-4-7-11-16)12-15-18-13-8-5-9-14-18/h1,4,6-7,10-11H,5,8-9,12-15H2,2H3
InChIKeyQYOQSDDGMRFXST-UHFFFAOYSA-N
XLogP3.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-phenylpent-4-ynyl)piperidine?
The IUPAC name of 1-(3-methoxy-3-phenylpent-4-ynyl)piperidine (CID 2835439) is 1-(3-methoxy-3-phenylpent-4-ynyl)piperidine.
What is the SMILES notation for 1-(3-methoxy-3-phenylpent-4-ynyl)piperidine?
The canonical SMILES for 1-(3-methoxy-3-phenylpent-4-ynyl)piperidine is C#CC(CCN1CCCCC1)(OC)c1ccccc1.
What is the InChIKey of 1-(3-methoxy-3-phenylpent-4-ynyl)piperidine?
The InChIKey is QYOQSDDGMRFXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-17(19-2,16-10-6-4-7-11-16)12-15-18-13-8-5-9-14-18/h1,4,6-7,10-11H,5,8-9,12-15H2,2H3.
What are the key properties of 1-(3-methoxy-3-phenylpent-4-ynyl)piperidine?
1-(3-methoxy-3-phenylpent-4-ynyl)piperidine has a molecular weight of 257.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-phenylpent-4-ynyl)piperidine is sourced from PubChem (CID 2835439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).