4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine

C28H31F2NO — CID 14407082

IUPAC4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine
SMILESFc1ccc(C(c2ccc(F)cc2)C2CCN(CCCCOc3ccccc3)CC2)cc1
InChIInChI=1S/C28H31F2NO/c29-25-12-8-22(9-13-25)28(23-10-14-26(30)15-11-23)24-16-19-31(20-17-24)18-4-5-21-32-27-6-2-1-3-7-27/h1-3,6-15,24,28H,4-5,16-21H2
InChIKeyUEGYTOQQURASTC-UHFFFAOYSA-N
MW435.56 g/mol
LogP6.67
Rot. Bonds9

About 4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine

4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine (PubChem CID 14407082) has the molecular formula C28H31F2NO and a molecular weight of 435.56 g/mol. Its IUPAC name is 4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine.

Molecular Properties

Compound Name4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine
PubChem CID14407082
Molecular FormulaC28H31F2NO
Molecular Weight435.56 g/mol
Exact Mass435.24
IUPAC Name4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine
SMILESFc1ccc(C(c2ccc(F)cc2)C2CCN(CCCCOc3ccccc3)CC2)cc1
InChIInChI=1S/C28H31F2NO/c29-25-12-8-22(9-13-25)28(23-10-14-26(30)15-11-23)24-16-19-31(20-17-24)18-4-5-21-32-27-6-2-1-3-7-27/h1-3,6-15,24,28H,4-5,16-21H2
InChIKeyUEGYTOQQURASTC-UHFFFAOYSA-N
XLogP6.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.56
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanamine;hydrate;dihydrochloride
CID 70082267
1-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]ethanone
CID 14407097
N-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide
CID 14407113
4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]aniline;but-2-enedioic acid;hydrate
CID 70392622
4-[bis(4-fluorophenyl)methyl]-1-(2-naphthalen-2-yloxyethyl)piperidine
CID 14407118
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 10737302
1-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]-2-methoxyphenyl]ethanone
CID 15093874
4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
CID 21192630
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine
CID 14407109
bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol;oxalic acid
CID 23036403
1-[4-[3-[4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]-2-methylpropan-1-one
CID 19772098

Frequently Asked Questions

What is the IUPAC name of 4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine?
The IUPAC name of 4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine (CID 14407082) is 4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine.
What is the SMILES notation for 4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine?
The canonical SMILES for 4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine is Fc1ccc(C(c2ccc(F)cc2)C2CCN(CCCCOc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine?
The InChIKey is UEGYTOQQURASTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2NO/c29-25-12-8-22(9-13-25)28(23-10-14-26(30)15-11-23)24-16-19-31(20-17-24)18-4-5-21-32-27-6-2-1-3-7-27/h1-3,6-15,24,28H,4-5,16-21H2.
What are the key properties of 4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine?
4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine has a molecular weight of 435.56 g/mol, XLogP of 6.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine is sourced from PubChem (CID 14407082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).