1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine

C25H34FNO2 — CID 54061741

IUPAC1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine
SMILESFc1ccc(COc2ccc(OCCCCCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C25H34FNO2/c26-23-11-9-22(10-12-23)21-29-25-15-13-24(14-16-25)28-20-8-3-1-2-5-17-27-18-6-4-7-19-27/h9-16H,1-8,17-21H2
InChIKeyMAFADRUQOFLNMM-UHFFFAOYSA-N
MW399.55 g/mol
LogP6.22
Rot. Bonds12

About 1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine

1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine (PubChem CID 54061741) has the molecular formula C25H34FNO2 and a molecular weight of 399.55 g/mol. Its IUPAC name is 1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine.

Molecular Properties

Compound Name1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine
PubChem CID54061741
Molecular FormulaC25H34FNO2
Molecular Weight399.55 g/mol
Exact Mass399.26
IUPAC Name1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine
SMILESFc1ccc(COc2ccc(OCCCCCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C25H34FNO2/c26-23-11-9-22(10-12-23)21-29-25-15-13-24(14-16-25)28-20-8-3-1-2-5-17-27-18-6-4-7-19-27/h9-16H,1-8,17-21H2
InChIKeyMAFADRUQOFLNMM-UHFFFAOYSA-N
XLogP6.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.55
LogP ≤ 56.22
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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Related Compounds

1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
4-[(4-fluorophenyl)methoxy]-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-one
CID 11654412
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
1-[4-(4-iodophenoxy)butyl]pyrrolidine
CID 2232625
N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine
CID 46890597
1-[6-(4-tert-butylphenoxy)hexyl]pyrrolidine
CID 2232435
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553

Frequently Asked Questions

What is the IUPAC name of 1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine?
The IUPAC name of 1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine (CID 54061741) is 1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine.
What is the SMILES notation for 1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine?
The canonical SMILES for 1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine is Fc1ccc(COc2ccc(OCCCCCCCN3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine?
The InChIKey is MAFADRUQOFLNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FNO2/c26-23-11-9-22(10-12-23)21-29-25-15-13-24(14-16-25)28-20-8-3-1-2-5-17-27-18-6-4-7-19-27/h9-16H,1-8,17-21H2.
What are the key properties of 1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine?
1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine has a molecular weight of 399.55 g/mol, XLogP of 6.22, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[4-[(4-fluorophenyl)methoxy]phenoxy]heptyl]piperidine is sourced from PubChem (CID 54061741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).