8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane

C21H26FN3 — CID 97372598

IUPAC8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
SMILESFc1ccc(CN2CCC3(CCCN3Cc3cccnc3)CC2)cc1
InChIInChI=1S/C21H26FN3/c22-20-6-4-18(5-7-20)16-24-13-9-21(10-14-24)8-2-12-25(21)17-19-3-1-11-23-15-19/h1,3-7,11,15H,2,8-10,12-14,16-17H2
InChIKeyKSFWPCUXSAPKTK-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.85
Rot. Bonds4

About 8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane

8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane (PubChem CID 97372598) has the molecular formula C21H26FN3 and a molecular weight of 339.46 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
PubChem CID97372598
Molecular FormulaC21H26FN3
Molecular Weight339.46 g/mol
Exact Mass339.21
IUPAC Name8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
SMILESFc1ccc(CN2CCC3(CCCN3Cc3cccnc3)CC2)cc1
InChIInChI=1S/C21H26FN3/c22-20-6-4-18(5-7-20)16-24-13-9-21(10-14-24)8-2-12-25(21)17-19-3-1-11-23-15-19/h1,3-7,11,15H,2,8-10,12-14,16-17H2
InChIKeyKSFWPCUXSAPKTK-UHFFFAOYSA-N
XLogP3.85
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane
CID 134079041
8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372599
1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane
CID 97409300
1-(pyridin-3-ylmethyl)-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155824811
N-methyl-2-[8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]acetamide
CID 97396905
(3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134078359
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131663162
(5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
CID 97481962
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane (CID 97372598) is 8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane is Fc1ccc(CN2CCC3(CCCN3Cc3cccnc3)CC2)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
The InChIKey is KSFWPCUXSAPKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3/c22-20-6-4-18(5-7-20)16-24-13-9-21(10-14-24)8-2-12-25(21)17-19-3-1-11-23-15-19/h1,3-7,11,15H,2,8-10,12-14,16-17H2.
What are the key properties of 8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane?
8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane has a molecular weight of 339.46 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97372598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).