4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine

C16H21NO2 — CID 162371992

IUPAC4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine
SMILESC(#CC1CCNCC1)COCCOc1ccccc1
InChIInChI=1S/C16H21NO2/c1-2-6-16(7-3-1)19-14-13-18-12-4-5-15-8-10-17-11-9-15/h1-3,6-7,15,17H,8-14H2
InChIKeyRIEPVMZKNBKODF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.09
Rot. Bonds5

About 4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine

4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine (PubChem CID 162371992) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine.

Molecular Properties

Compound Name4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine
PubChem CID162371992
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine
SMILESC(#CC1CCNCC1)COCCOc1ccccc1
InChIInChI=1S/C16H21NO2/c1-2-6-16(7-3-1)19-14-13-18-12-4-5-15-8-10-17-11-9-15/h1-3,6-7,15,17H,8-14H2
InChIKeyRIEPVMZKNBKODF-UHFFFAOYSA-N
XLogP2.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine?
The IUPAC name of 4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine (CID 162371992) is 4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine.
What is the SMILES notation for 4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine?
The canonical SMILES for 4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine is C(#CC1CCNCC1)COCCOc1ccccc1.
What is the InChIKey of 4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine?
The InChIKey is RIEPVMZKNBKODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-6-16(7-3-1)19-14-13-18-12-4-5-15-8-10-17-11-9-15/h1-3,6-7,15,17H,8-14H2.
What are the key properties of 4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine?
4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine has a molecular weight of 259.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-phenoxyethoxy)prop-1-ynyl]piperidine is sourced from PubChem (CID 162371992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).