1-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine

C16H24FNO — CID 2935438

IUPAC1-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine
SMILESCC1CCCN(CCCCOc2ccccc2F)C1
InChIInChI=1S/C16H24FNO/c1-14-7-6-11-18(13-14)10-4-5-12-19-16-9-3-2-8-15(16)17/h2-3,8-9,14H,4-7,10-13H2,1H3
InChIKeyCZLLYBPPPFWKSH-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.72
Rot. Bonds6

About 1-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine

1-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine (PubChem CID 2935438) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine
PubChem CID2935438
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine
SMILESCC1CCCN(CCCCOc2ccccc2F)C1
InChIInChI=1S/C16H24FNO/c1-14-7-6-11-18(13-14)10-4-5-12-19-16-9-3-2-8-15(16)17/h2-3,8-9,14H,4-7,10-13H2,1H3
InChIKeyCZLLYBPPPFWKSH-UHFFFAOYSA-N
XLogP3.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.72
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-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine?
The IUPAC name of 1-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine (CID 2935438) is 1-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine.
What is the SMILES notation for 1-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine?
The canonical SMILES for 1-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine is CC1CCCN(CCCCOc2ccccc2F)C1.
What is the InChIKey of 1-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine?
The InChIKey is CZLLYBPPPFWKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-14-7-6-11-18(13-14)10-4-5-12-19-16-9-3-2-8-15(16)17/h2-3,8-9,14H,4-7,10-13H2,1H3.
What are the key properties of 1-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine?
1-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine has a molecular weight of 265.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenoxy)butyl]-3-methylpiperidine is sourced from PubChem (CID 2935438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).