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

C24H28FN — CID 58772005

IUPAC1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-fluorophenyl)phenyl]piperidine
SMILESFc1ccc(-c2ccccc2C2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1
InChIInChI=1S/C24H28FN/c25-21-9-7-18(8-10-21)22-3-1-2-4-23(22)19-11-13-26(14-12-19)24-16-17-5-6-20(24)15-17/h1-4,7-10,17,19-20,24H,5-6,11-16H2/t17-,20-,24-/m0/s1
InChIKeyGASNMNKRPWDFAP-REIDKSKDSA-N
MW349.49 g/mol
LogP5.86
Rot. Bonds3

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

1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-fluorophenyl)phenyl]piperidine (PubChem CID 58772005) has the molecular formula C24H28FN and a molecular weight of 349.49 g/mol. Its IUPAC name is 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-fluorophenyl)phenyl]piperidine.

Molecular Properties

Compound Name1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-fluorophenyl)phenyl]piperidine
PubChem CID58772005
Molecular FormulaC24H28FN
Molecular Weight349.49 g/mol
Exact Mass349.22
IUPAC Name1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-fluorophenyl)phenyl]piperidine
SMILESFc1ccc(-c2ccccc2C2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1
InChIInChI=1S/C24H28FN/c25-21-9-7-18(8-10-21)22-3-1-2-4-23(22)19-11-13-26(14-12-19)24-16-17-5-6-20(24)15-17/h1-4,7-10,17,19-20,24H,5-6,11-16H2/t17-,20-,24-/m0/s1
InChIKeyGASNMNKRPWDFAP-REIDKSKDSA-N
XLogP5.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.49
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-fluorophenyl)phenyl]piperidine with MolForge

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Related Compounds

1'-[4,4-Bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine]
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4-(2-fluorophenyl)-1-(2-phenylcyclohexyl)-3,6-dihydro-2H-pyridine
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4-[2-[(4-Fluorophenyl)methyl]phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine
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4-benzhydryl-1-[(E)-4-(4-fluorophenyl)but-3-enyl]piperidine
CID 20379995
4-(2,3-dihydro-1H-inden-1-yl)-1-[2-(4-fluorophenyl)ethyl]piperidine
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1-[4-(4-Fluorophenyl)-3-cyclohexen-1-yl]-4-(phenylmethyl)piperidine
CID 22122083
4-[2-[(4-fluorophenyl)methyl]phenyl]-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
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Trans 1-[4-(4-fluorophenyl)-1-cyclohexyl]-4-[(2,5-difluorophenyl)methyl]piperidine
CID 23355080
1-[2-(4-Fluorophenyl)bicyclo[2.2.1]heptan-2-yl]piperidine
CID 24780671
4-Benzhydryl-1-[4-(4-fluorophenyl)but-3-enyl]piperidine
CID 53855365

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-fluorophenyl)phenyl]piperidine?
The IUPAC name of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-fluorophenyl)phenyl]piperidine (CID 58772005) is 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-fluorophenyl)phenyl]piperidine.
What is the SMILES notation for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-fluorophenyl)phenyl]piperidine?
The canonical SMILES for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-fluorophenyl)phenyl]piperidine is Fc1ccc(-c2ccccc2C2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1.
What is the InChIKey of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-fluorophenyl)phenyl]piperidine?
The InChIKey is GASNMNKRPWDFAP-REIDKSKDSA-N. The full InChI is InChI=1S/C24H28FN/c25-21-9-7-18(8-10-21)22-3-1-2-4-23(22)19-11-13-26(14-12-19)24-16-17-5-6-20(24)15-17/h1-4,7-10,17,19-20,24H,5-6,11-16H2/t17-,20-,24-/m0/s1.
What are the key properties of 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-fluorophenyl)phenyl]piperidine?
1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-fluorophenyl)phenyl]piperidine has a molecular weight of 349.49 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[2-(4-fluorophenyl)phenyl]piperidine is sourced from PubChem (CID 58772005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).