1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine

C23H29F2N — CID 23381404

IUPAC1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine
SMILESCCCCCC1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H29F2N/c1-2-3-4-5-18-14-16-26(17-15-18)23(19-6-10-21(24)11-7-19)20-8-12-22(25)13-9-20/h6-13,18,23H,2-5,14-17H2,1H3
InChIKeyHQXATFDOQWRXHC-UHFFFAOYSA-N
MW357.49 g/mol
LogP6.35
Rot. Bonds7

About 1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine

1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine (PubChem CID 23381404) has the molecular formula C23H29F2N and a molecular weight of 357.49 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine
PubChem CID23381404
Molecular FormulaC23H29F2N
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC Name1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine
SMILESCCCCCC1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H29F2N/c1-2-3-4-5-18-14-16-26(17-15-18)23(19-6-10-21(24)11-7-19)20-8-12-22(25)13-9-20/h6-13,18,23H,2-5,14-17H2,1H3
InChIKeyHQXATFDOQWRXHC-UHFFFAOYSA-N
XLogP6.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.49
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine?
The IUPAC name of 1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine (CID 23381404) is 1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine?
The canonical SMILES for 1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine is CCCCCC1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine?
The InChIKey is HQXATFDOQWRXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N/c1-2-3-4-5-18-14-16-26(17-15-18)23(19-6-10-21(24)11-7-19)20-8-12-22(25)13-9-20/h6-13,18,23H,2-5,14-17H2,1H3.
What are the key properties of 1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine?
1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine has a molecular weight of 357.49 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)methyl]-4-pentylpiperidine is sourced from PubChem (CID 23381404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).