3-(1-fluoro-4-phenylbutyl)piperidine

C15H22FN — CID 112565317

IUPAC3-(1-fluoro-4-phenylbutyl)piperidine
SMILESFC(CCCc1ccccc1)C1CCCNC1
InChIInChI=1S/C15H22FN/c16-15(14-9-5-11-17-12-14)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14-15,17H,4-5,8-12H2
InChIKeyIBNPGJCHPQGLSU-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.35
Rot. Bonds5

About 3-(1-fluoro-4-phenylbutyl)piperidine

3-(1-fluoro-4-phenylbutyl)piperidine (PubChem CID 112565317) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-(1-fluoro-4-phenylbutyl)piperidine.

Molecular Properties

Compound Name3-(1-fluoro-4-phenylbutyl)piperidine
PubChem CID112565317
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name3-(1-fluoro-4-phenylbutyl)piperidine
SMILESFC(CCCc1ccccc1)C1CCCNC1
InChIInChI=1S/C15H22FN/c16-15(14-9-5-11-17-12-14)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14-15,17H,4-5,8-12H2
InChIKeyIBNPGJCHPQGLSU-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-fluoro-3-phenylpropyl)piperidine
CID 83855350
3-(3-phenylpropylsulfanyl)piperidine
CID 84754997
3-[1-fluoro-4-(oxolan-2-yl)butyl]piperidine
CID 112565298
3-[2-(4-tert-butylphenyl)-1-fluoroethyl]piperidine
CID 112565416
2-phenyl-N-(1-piperidin-3-ylethyl)ethanesulfonamide;hydrochloride
CID 119970304
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
N-(2-methoxyethyl)-N-(3-phenylpropyl)-3-piperidin-3-ylbutanamide
CID 119756066
N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine
CID 81043704
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine
CID 66273007
N-phenyl-N-(3-phenyl-1-piperidin-3-ylpropyl)furan-2-carboxamide
CID 70109024
3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine
CID 68596615
N-(4-phenylbutyl)-N-propylpiperidin-3-amine
CID 114334204

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoro-4-phenylbutyl)piperidine?
The IUPAC name of 3-(1-fluoro-4-phenylbutyl)piperidine (CID 112565317) is 3-(1-fluoro-4-phenylbutyl)piperidine.
What is the SMILES notation for 3-(1-fluoro-4-phenylbutyl)piperidine?
The canonical SMILES for 3-(1-fluoro-4-phenylbutyl)piperidine is FC(CCCc1ccccc1)C1CCCNC1.
What is the InChIKey of 3-(1-fluoro-4-phenylbutyl)piperidine?
The InChIKey is IBNPGJCHPQGLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c16-15(14-9-5-11-17-12-14)10-4-8-13-6-2-1-3-7-13/h1-3,6-7,14-15,17H,4-5,8-12H2.
What are the key properties of 3-(1-fluoro-4-phenylbutyl)piperidine?
3-(1-fluoro-4-phenylbutyl)piperidine has a molecular weight of 235.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoro-4-phenylbutyl)piperidine is sourced from PubChem (CID 112565317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).