4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine

C15H21ClFNO — CID 91255595

IUPAC4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine
SMILESCN1CCC(CCCOc2cccc(F)c2Cl)CC1
InChIInChI=1S/C15H21ClFNO/c1-18-9-7-12(8-10-18)4-3-11-19-14-6-2-5-13(17)15(14)16/h2,5-6,12H,3-4,7-11H2,1H3
InChIKeyUXJHMUAGUGZJLX-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.98
Rot. Bonds5

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

4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine (PubChem CID 91255595) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine
PubChem CID91255595
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine
SMILESCN1CCC(CCCOc2cccc(F)c2Cl)CC1
InChIInChI=1S/C15H21ClFNO/c1-18-9-7-12(8-10-18)4-3-11-19-14-6-2-5-13(17)15(14)16/h2,5-6,12H,3-4,7-11H2,1H3
InChIKeyUXJHMUAGUGZJLX-UHFFFAOYSA-N
XLogP3.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.98
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 4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine?
The IUPAC name of 4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine (CID 91255595) is 4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine.
What is the SMILES notation for 4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine?
The canonical SMILES for 4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine is CN1CCC(CCCOc2cccc(F)c2Cl)CC1.
What is the InChIKey of 4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine?
The InChIKey is UXJHMUAGUGZJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-18-9-7-12(8-10-18)4-3-11-19-14-6-2-5-13(17)15(14)16/h2,5-6,12H,3-4,7-11H2,1H3.
What are the key properties of 4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine?
4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine has a molecular weight of 285.79 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chloro-3-fluorophenoxy)propyl]-1-methylpiperidine is sourced from PubChem (CID 91255595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).