1-[6-(4-phenylphenoxy)hexyl]piperidine

C23H31NO — CID 155533744

IUPAC1-[6-(4-phenylphenoxy)hexyl]piperidine
SMILESc1ccc(-c2ccc(OCCCCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31NO/c1(7-17-24-18-8-4-9-19-24)2-10-20-25-23-15-13-22(14-16-23)21-11-5-3-6-12-21/h3,5-6,11-16H,1-2,4,7-10,17-20H2
InChIKeyRUSXTYISIIQEMC-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.78
Rot. Bonds9

About 1-[6-(4-phenylphenoxy)hexyl]piperidine

1-[6-(4-phenylphenoxy)hexyl]piperidine (PubChem CID 155533744) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-[6-(4-phenylphenoxy)hexyl]piperidine.

Molecular Properties

Compound Name1-[6-(4-phenylphenoxy)hexyl]piperidine
PubChem CID155533744
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name1-[6-(4-phenylphenoxy)hexyl]piperidine
SMILESc1ccc(-c2ccc(OCCCCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31NO/c1(7-17-24-18-8-4-9-19-24)2-10-20-25-23-15-13-22(14-16-23)21-11-5-3-6-12-21/h3,5-6,11-16H,1-2,4,7-10,17-20H2
InChIKeyRUSXTYISIIQEMC-UHFFFAOYSA-N
XLogP5.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[6-(4-phenylphenoxy)hexyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
oxalic acid;1-[5-(3-phenylphenoxy)pentyl]azepane
CID 155512264
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
4-phenylphenol;1-[3-(4-phenylphenoxy)propyl]pyrrolidine;3-pyrrolidin-1-ylpropan-1-ol
CID 161417756
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
1-octadecyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;dihydrochloride
CID 56955425
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine
CID 2943786

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-phenylphenoxy)hexyl]piperidine?
The IUPAC name of 1-[6-(4-phenylphenoxy)hexyl]piperidine (CID 155533744) is 1-[6-(4-phenylphenoxy)hexyl]piperidine.
What is the SMILES notation for 1-[6-(4-phenylphenoxy)hexyl]piperidine?
The canonical SMILES for 1-[6-(4-phenylphenoxy)hexyl]piperidine is c1ccc(-c2ccc(OCCCCCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[6-(4-phenylphenoxy)hexyl]piperidine?
The InChIKey is RUSXTYISIIQEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1(7-17-24-18-8-4-9-19-24)2-10-20-25-23-15-13-22(14-16-23)21-11-5-3-6-12-21/h3,5-6,11-16H,1-2,4,7-10,17-20H2.
What are the key properties of 1-[6-(4-phenylphenoxy)hexyl]piperidine?
1-[6-(4-phenylphenoxy)hexyl]piperidine has a molecular weight of 337.51 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-phenylphenoxy)hexyl]piperidine is sourced from PubChem (CID 155533744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).