4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine

C17H24FNO — CID 56898104

IUPAC4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine
SMILESFc1ccc(CC2CCN(CC3CCOC3)CC2)cc1
InChIInChI=1S/C17H24FNO/c18-17-3-1-14(2-4-17)11-15-5-8-19(9-6-15)12-16-7-10-20-13-16/h1-4,15-16H,5-13H2
InChIKeyDTYNLAXJGGGAOI-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.12
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine

4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine (PubChem CID 56898104) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine
PubChem CID56898104
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine
SMILESFc1ccc(CC2CCN(CC3CCOC3)CC2)cc1
InChIInChI=1S/C17H24FNO/c18-17-3-1-14(2-4-17)11-15-5-8-19(9-6-15)12-16-7-10-20-13-16/h1-4,15-16H,5-13H2
InChIKeyDTYNLAXJGGGAOI-UHFFFAOYSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9903343
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CID 44563684
4-Benzyl-1-[3-phenylpropoxy)propyl]piperidine
CID 44563685
4-((E)-3-Phenyl-allyloxymethyl)-1-(3-phenyl-propyl)-piperidine
CID 44315830
4-[4,4-Bis(4-fluorophenyl)butyl]morpholine
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CID 22733849
8-[4,4-Bis(4-fluorophenyl)butyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 69024312
4-[2-(4-Fluorophenyl)ethyl]morpholine
CID 100965302
4-[(2R)-2-fluoro-2-phenylethyl]morpholine
CID 134934166
({1-[2-(2-Fluorophenyl)ethyl]-4-piperidinyl}methyl)methyl(tetrahydro-3-furanylmethyl)amine
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({1-[2-(2-fluorophenyl)ethyl]-3-piperidinyl}methyl)methyl(tetrahydro-2H-pyran-4-yl)amine
CID 45237138

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine (CID 56898104) is 4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine is Fc1ccc(CC2CCN(CC3CCOC3)CC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine?
The InChIKey is DTYNLAXJGGGAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c18-17-3-1-14(2-4-17)11-15-5-8-19(9-6-15)12-16-7-10-20-13-16/h1-4,15-16H,5-13H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine?
4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine has a molecular weight of 277.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1-(oxolan-3-ylmethyl)piperidine is sourced from PubChem (CID 56898104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).