1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine]

C29H31F2N — CID 10274392

IUPAC1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESFc1ccc(C(CCCN2CCC3(CCc4ccccc43)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C29H31F2N/c30-25-11-7-22(8-12-25)27(23-9-13-26(31)14-10-23)5-3-19-32-20-17-29(18-21-32)16-15-24-4-1-2-6-28(24)29/h1-2,4,6-14,27H,3,5,15-21H2
InChIKeyYVXWZLBBLSRVOP-UHFFFAOYSA-N
MW431.57 g/mol
LogP6.86
Rot. Bonds6

About 1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine]

1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 10274392) has the molecular formula C29H31F2N and a molecular weight of 431.57 g/mol. Its IUPAC name is 1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID10274392
Molecular FormulaC29H31F2N
Molecular Weight431.57 g/mol
Exact Mass431.24
IUPAC Name1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESFc1ccc(C(CCCN2CCC3(CCc4ccccc43)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C29H31F2N/c30-25-11-7-22(8-12-25)27(23-9-13-26(31)14-10-23)5-3-19-32-20-17-29(18-21-32)16-15-24-4-1-2-6-28(24)29/h1-2,4,6-14,27H,3,5,15-21H2
InChIKeyYVXWZLBBLSRVOP-UHFFFAOYSA-N
XLogP6.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.57
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of 1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine] (CID 10274392) is 1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine] is Fc1ccc(C(CCCN2CCC3(CCc4ccccc43)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is YVXWZLBBLSRVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2N/c30-25-11-7-22(8-12-25)27(23-9-13-26(31)14-10-23)5-3-19-32-20-17-29(18-21-32)16-15-24-4-1-2-6-28(24)29/h1-2,4,6-14,27H,3,5,15-21H2.
What are the key properties of 1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine]?
1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 431.57 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4,4-bis(4-fluorophenyl)butyl]spiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 10274392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).