1-[4-(3-ethoxyphenoxy)butyl]piperidine

C17H27NO2 — CID 2298166

IUPAC1-[4-(3-ethoxyphenoxy)butyl]piperidine
SMILESCCOc1cccc(OCCCCN2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-2-19-16-9-8-10-17(15-16)20-14-7-6-13-18-11-4-3-5-12-18/h8-10,15H,2-7,11-14H2,1H3
InChIKeyNORFVNWVMVAAPA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.73
Rot. Bonds8

About 1-[4-(3-ethoxyphenoxy)butyl]piperidine

1-[4-(3-ethoxyphenoxy)butyl]piperidine (PubChem CID 2298166) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[4-(3-ethoxyphenoxy)butyl]piperidine.

Molecular Properties

Compound Name1-[4-(3-ethoxyphenoxy)butyl]piperidine
PubChem CID2298166
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[4-(3-ethoxyphenoxy)butyl]piperidine
SMILESCCOc1cccc(OCCCCN2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-2-19-16-9-8-10-17(15-16)20-14-7-6-13-18-11-4-3-5-12-18/h8-10,15H,2-7,11-14H2,1H3
InChIKeyNORFVNWVMVAAPA-UHFFFAOYSA-N
XLogP3.73
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[4-(3-ethoxyphenoxy)butyl]piperidine?
The IUPAC name of 1-[4-(3-ethoxyphenoxy)butyl]piperidine (CID 2298166) is 1-[4-(3-ethoxyphenoxy)butyl]piperidine.
What is the SMILES notation for 1-[4-(3-ethoxyphenoxy)butyl]piperidine?
The canonical SMILES for 1-[4-(3-ethoxyphenoxy)butyl]piperidine is CCOc1cccc(OCCCCN2CCCCC2)c1.
What is the InChIKey of 1-[4-(3-ethoxyphenoxy)butyl]piperidine?
The InChIKey is NORFVNWVMVAAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-19-16-9-8-10-17(15-16)20-14-7-6-13-18-11-4-3-5-12-18/h8-10,15H,2-7,11-14H2,1H3.
What are the key properties of 1-[4-(3-ethoxyphenoxy)butyl]piperidine?
1-[4-(3-ethoxyphenoxy)butyl]piperidine has a molecular weight of 277.41 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxyphenoxy)butyl]piperidine is sourced from PubChem (CID 2298166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).