1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine

C20H33NO — CID 155523500

IUPAC1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine
SMILESCCc1ccc(OCCCCCCN2CCC(C)CC2)cc1
InChIInChI=1S/C20H33NO/c1-3-19-8-10-20(11-9-19)22-17-7-5-4-6-14-21-15-12-18(2)13-16-21/h8-11,18H,3-7,12-17H2,1-2H3
InChIKeyYPZAIVRBDAFEOR-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.92
Rot. Bonds9

About 1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine

1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine (PubChem CID 155523500) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine
PubChem CID155523500
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine
SMILESCCc1ccc(OCCCCCCN2CCC(C)CC2)cc1
InChIInChI=1S/C20H33NO/c1-3-19-8-10-20(11-9-19)22-17-7-5-4-6-14-21-15-12-18(2)13-16-21/h8-11,18H,3-7,12-17H2,1-2H3
InChIKeyYPZAIVRBDAFEOR-UHFFFAOYSA-N
XLogP4.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.92
H-Bond Donors ≤ 50
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 1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine?
The IUPAC name of 1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine (CID 155523500) is 1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine.
What is the SMILES notation for 1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine?
The canonical SMILES for 1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine is CCc1ccc(OCCCCCCN2CCC(C)CC2)cc1.
What is the InChIKey of 1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine?
The InChIKey is YPZAIVRBDAFEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-3-19-8-10-20(11-9-19)22-17-7-5-4-6-14-21-15-12-18(2)13-16-21/h8-11,18H,3-7,12-17H2,1-2H3.
What are the key properties of 1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine?
1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine has a molecular weight of 303.49 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-ethylphenoxy)hexyl]-4-methylpiperidine is sourced from PubChem (CID 155523500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).