1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine

C18H24FN — CID 58771991

IUPAC1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine
SMILESFc1ccccc1C1CCN(C2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C18H24FN/c19-17-4-2-1-3-16(17)14-7-9-20(10-8-14)18-12-13-5-6-15(18)11-13/h1-4,13-15,18H,5-12H2/t13-,15-,18?/m0/s1
InChIKeyLMJQGNGPCJADNA-SUAWAIIZSA-N
MW273.39 g/mol
LogP4.19
Rot. Bonds2

About 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine

1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine (PubChem CID 58771991) has the molecular formula C18H24FN and a molecular weight of 273.39 g/mol. Its IUPAC name is 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine.

Molecular Properties

Compound Name1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine
PubChem CID58771991
Molecular FormulaC18H24FN
Molecular Weight273.39 g/mol
Exact Mass273.19
IUPAC Name1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine
SMILESFc1ccccc1C1CCN(C2C[C@H]3CC[C@H]2C3)CC1
InChIInChI=1S/C18H24FN/c19-17-4-2-1-3-16(17)14-7-9-20(10-8-14)18-12-13-5-6-15(18)11-13/h1-4,13-15,18H,5-12H2/t13-,15-,18?/m0/s1
InChIKeyLMJQGNGPCJADNA-SUAWAIIZSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10404071
1-Cyclohexyl-4-phenylpiperidine
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CID 53325861
(8S)-N-[3-(3-fluorophenyl)propyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
CID 73349362
1-[4,4-Bis(4-fluorophenyl)butyl]piperidine
CID 3040199
4-(4-Fluorophenyl)-1-[4-(4-fluorophenyl)butyl]piperidine
CID 44364130
4-(4-Fluorophenyl)-1-[3-(4-fluorophenyl)propyl]piperidine
CID 44364419
1-Benzyl-4-(bicyclo[2.2.1]hept-2-yl)piperazine
CID 2846552
2-Bornanamine, N-(3-(p-fluorophenyl)propyl)-, hydrobromide, endo-(+-)-
CID 32549
1-(2-Phenylcyclohexyl)piperidine hydrochloride
CID 3030616
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CID 13230986
1-[3-[4-(4-Fluorophenyl)phenyl]butyl]-2-methylpiperidine
CID 20302800

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine?
The IUPAC name of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine (CID 58771991) is 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine.
What is the SMILES notation for 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine?
The canonical SMILES for 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine is Fc1ccccc1C1CCN(C2C[C@H]3CC[C@H]2C3)CC1.
What is the InChIKey of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine?
The InChIKey is LMJQGNGPCJADNA-SUAWAIIZSA-N. The full InChI is InChI=1S/C18H24FN/c19-17-4-2-1-3-16(17)14-7-9-20(10-8-14)18-12-13-5-6-15(18)11-13/h1-4,13-15,18H,5-12H2/t13-,15-,18?/m0/s1.
What are the key properties of 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine?
1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine has a molecular weight of 273.39 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-fluorophenyl)piperidine is sourced from PubChem (CID 58771991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).