8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane

C27H29FN2 — CID 175913635

IUPAC8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane
SMILESFc1ccc(-c2ccc(-c3ccnc(CN4CCC5(CCCC5)CC4)c3)cc2)cc1
InChIInChI=1S/C27H29FN2/c28-25-9-7-22(8-10-25)21-3-5-23(6-4-21)24-11-16-29-26(19-24)20-30-17-14-27(15-18-30)12-1-2-13-27/h3-11,16,19H,1-2,12-15,17-18,20H2
InChIKeyXLPFGIYWTVDNDD-UHFFFAOYSA-N
MW400.54 g/mol
LogP6.71
Rot. Bonds4

About 8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane

8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane (PubChem CID 175913635) has the molecular formula C27H29FN2 and a molecular weight of 400.54 g/mol. Its IUPAC name is 8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane
PubChem CID175913635
Molecular FormulaC27H29FN2
Molecular Weight400.54 g/mol
Exact Mass400.23
IUPAC Name8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane
SMILESFc1ccc(-c2ccc(-c3ccnc(CN4CCC5(CCCC5)CC4)c3)cc2)cc1
InChIInChI=1S/C27H29FN2/c28-25-9-7-22(8-10-25)21-3-5-23(6-4-21)24-11-16-29-26(19-24)20-30-17-14-27(15-18-30)12-1-2-13-27/h3-11,16,19H,1-2,12-15,17-18,20H2
InChIKeyXLPFGIYWTVDNDD-UHFFFAOYSA-N
XLogP6.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.54
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane?
The IUPAC name of 8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane (CID 175913635) is 8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane is Fc1ccc(-c2ccc(-c3ccnc(CN4CCC5(CCCC5)CC4)c3)cc2)cc1.
What is the InChIKey of 8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane?
The InChIKey is XLPFGIYWTVDNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2/c28-25-9-7-22(8-10-25)21-3-5-23(6-4-21)24-11-16-29-26(19-24)20-30-17-14-27(15-18-30)12-1-2-13-27/h3-11,16,19H,1-2,12-15,17-18,20H2.
What are the key properties of 8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane?
8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane has a molecular weight of 400.54 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[4-(4-fluorophenyl)phenyl]-2-pyridinyl]methyl]-8-azaspiro[4.5]decane is sourced from PubChem (CID 175913635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).