1-butyl-4-(3-fluorophenyl)piperidine

C15H22FN — CID 174904971

IUPAC1-butyl-4-(3-fluorophenyl)piperidine
SMILESCCCCN1CCC(c2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN/c1-2-3-9-17-10-7-13(8-11-17)14-5-4-6-15(16)12-14/h4-6,12-13H,2-3,7-11H2,1H3
InChIKeyBCASARQXMUVOQS-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.81
Rot. Bonds4

About 1-butyl-4-(3-fluorophenyl)piperidine

1-butyl-4-(3-fluorophenyl)piperidine (PubChem CID 174904971) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-butyl-4-(3-fluorophenyl)piperidine.

Molecular Properties

Compound Name1-butyl-4-(3-fluorophenyl)piperidine
PubChem CID174904971
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-butyl-4-(3-fluorophenyl)piperidine
SMILESCCCCN1CCC(c2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN/c1-2-3-9-17-10-7-13(8-11-17)14-5-4-6-15(16)12-14/h4-6,12-13H,2-3,7-11H2,1H3
InChIKeyBCASARQXMUVOQS-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(3-fluorophenyl)piperidine?
The IUPAC name of 1-butyl-4-(3-fluorophenyl)piperidine (CID 174904971) is 1-butyl-4-(3-fluorophenyl)piperidine.
What is the SMILES notation for 1-butyl-4-(3-fluorophenyl)piperidine?
The canonical SMILES for 1-butyl-4-(3-fluorophenyl)piperidine is CCCCN1CCC(c2cccc(F)c2)CC1.
What is the InChIKey of 1-butyl-4-(3-fluorophenyl)piperidine?
The InChIKey is BCASARQXMUVOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-2-3-9-17-10-7-13(8-11-17)14-5-4-6-15(16)12-14/h4-6,12-13H,2-3,7-11H2,1H3.
What are the key properties of 1-butyl-4-(3-fluorophenyl)piperidine?
1-butyl-4-(3-fluorophenyl)piperidine has a molecular weight of 235.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(3-fluorophenyl)piperidine is sourced from PubChem (CID 174904971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).