1-[5-(4-phenylphenoxy)pentyl]pyrrolidine

C21H27NO — CID 11857856

IUPAC1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
SMILESc1ccc(-c2ccc(OCCCCCN3CCCC3)cc2)cc1
InChIInChI=1S/C21H27NO/c1-3-9-19(10-4-1)20-11-13-21(14-12-20)23-18-8-2-5-15-22-16-6-7-17-22/h1,3-4,9-14H,2,5-8,15-18H2
InChIKeySHDCMHVGBWJCOB-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.00
Rot. Bonds8

About 1-[5-(4-phenylphenoxy)pentyl]pyrrolidine

1-[5-(4-phenylphenoxy)pentyl]pyrrolidine (PubChem CID 11857856) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[5-(4-phenylphenoxy)pentyl]pyrrolidine.

Molecular Properties

Compound Name1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
PubChem CID11857856
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
SMILESc1ccc(-c2ccc(OCCCCCN3CCCC3)cc2)cc1
InChIInChI=1S/C21H27NO/c1-3-9-19(10-4-1)20-11-13-21(14-12-20)23-18-8-2-5-15-22-16-6-7-17-22/h1,3-4,9-14H,2,5-8,15-18H2
InChIKeySHDCMHVGBWJCOB-UHFFFAOYSA-N
XLogP5.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 55.00
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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Related Compounds

1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
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
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
oxalic acid;1-[5-(3-phenylphenoxy)pentyl]azepane
CID 155512264
oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine
CID 2943786
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-phenylphenoxy)pentyl]pyrrolidine?
The IUPAC name of 1-[5-(4-phenylphenoxy)pentyl]pyrrolidine (CID 11857856) is 1-[5-(4-phenylphenoxy)pentyl]pyrrolidine.
What is the SMILES notation for 1-[5-(4-phenylphenoxy)pentyl]pyrrolidine?
The canonical SMILES for 1-[5-(4-phenylphenoxy)pentyl]pyrrolidine is c1ccc(-c2ccc(OCCCCCN3CCCC3)cc2)cc1.
What is the InChIKey of 1-[5-(4-phenylphenoxy)pentyl]pyrrolidine?
The InChIKey is SHDCMHVGBWJCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-3-9-19(10-4-1)20-11-13-21(14-12-20)23-18-8-2-5-15-22-16-6-7-17-22/h1,3-4,9-14H,2,5-8,15-18H2.
What are the key properties of 1-[5-(4-phenylphenoxy)pentyl]pyrrolidine?
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine has a molecular weight of 309.45 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-phenylphenoxy)pentyl]pyrrolidine is sourced from PubChem (CID 11857856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).