4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine

C23H28FN — CID 158054931

IUPAC4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine
SMILESFc1ccc(CC2(CC[C@@H]3CC3c3ccccc3)CCNCC2)cc1
InChIInChI=1S/C23H28FN/c24-21-8-6-18(7-9-21)17-23(12-14-25-15-13-23)11-10-20-16-22(20)19-4-2-1-3-5-19/h1-9,20,22,25H,10-17H2/t20-,22?/m1/s1
InChIKeyFJXSUUGAXDTRSB-PSDZMVHGSA-N
MW337.48 g/mol
LogP5.32
Rot. Bonds6

About 4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine

4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine (PubChem CID 158054931) has the molecular formula C23H28FN and a molecular weight of 337.48 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine
PubChem CID158054931
Molecular FormulaC23H28FN
Molecular Weight337.48 g/mol
Exact Mass337.22
IUPAC Name4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine
SMILESFc1ccc(CC2(CC[C@@H]3CC3c3ccccc3)CCNCC2)cc1
InChIInChI=1S/C23H28FN/c24-21-8-6-18(7-9-21)17-23(12-14-25-15-13-23)11-10-20-16-22(20)19-4-2-1-3-5-19/h1-9,20,22,25H,10-17H2/t20-,22?/m1/s1
InChIKeyFJXSUUGAXDTRSB-PSDZMVHGSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine (CID 158054931) is 4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine is Fc1ccc(CC2(CC[C@@H]3CC3c3ccccc3)CCNCC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine?
The InChIKey is FJXSUUGAXDTRSB-PSDZMVHGSA-N. The full InChI is InChI=1S/C23H28FN/c24-21-8-6-18(7-9-21)17-23(12-14-25-15-13-23)11-10-20-16-22(20)19-4-2-1-3-5-19/h1-9,20,22,25H,10-17H2/t20-,22?/m1/s1.
What are the key properties of 4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine?
4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine has a molecular weight of 337.48 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-4-[2-[(1R)-2-phenylcyclopropyl]ethyl]piperidine is sourced from PubChem (CID 158054931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).