4-(2-phenylethoxymethyl)piperidine

C14H21NO — CID 23722966

IUPAC4-(2-phenylethoxymethyl)piperidine
SMILESc1ccc(CCOCC2CCNCC2)cc1
InChIInChI=1S/C14H21NO/c1-2-4-13(5-3-1)8-11-16-12-14-6-9-15-10-7-14/h1-5,14-15H,6-12H2
InChIKeyNAAQXDUQJYALDH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.25
Rot. Bonds5

About 4-(2-phenylethoxymethyl)piperidine

4-(2-phenylethoxymethyl)piperidine (PubChem CID 23722966) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(2-phenylethoxymethyl)piperidine.

Molecular Properties

Compound Name4-(2-phenylethoxymethyl)piperidine
PubChem CID23722966
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(2-phenylethoxymethyl)piperidine
SMILESc1ccc(CCOCC2CCNCC2)cc1
InChIInChI=1S/C14H21NO/c1-2-4-13(5-3-1)8-11-16-12-14-6-9-15-10-7-14/h1-5,14-15H,6-12H2
InChIKeyNAAQXDUQJYALDH-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethoxymethyl)piperidine?
The IUPAC name of 4-(2-phenylethoxymethyl)piperidine (CID 23722966) is 4-(2-phenylethoxymethyl)piperidine.
What is the SMILES notation for 4-(2-phenylethoxymethyl)piperidine?
The canonical SMILES for 4-(2-phenylethoxymethyl)piperidine is c1ccc(CCOCC2CCNCC2)cc1.
What is the InChIKey of 4-(2-phenylethoxymethyl)piperidine?
The InChIKey is NAAQXDUQJYALDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-4-13(5-3-1)8-11-16-12-14-6-9-15-10-7-14/h1-5,14-15H,6-12H2.
What are the key properties of 4-(2-phenylethoxymethyl)piperidine?
4-(2-phenylethoxymethyl)piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethoxymethyl)piperidine is sourced from PubChem (CID 23722966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).