8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane

C17H25FN2 — CID 80696882

IUPAC8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane
SMILESFCCN1CC2(CCCC2)NCC1Cc1ccccc1
InChIInChI=1S/C17H25FN2/c18-10-11-20-14-17(8-4-5-9-17)19-13-16(20)12-15-6-2-1-3-7-15/h1-3,6-7,16,19H,4-5,8-14H2
InChIKeyYIBDXIWGLQOIGO-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.79
Rot. Bonds4

About 8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane

8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 80696882) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane
PubChem CID80696882
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane
SMILESFCCN1CC2(CCCC2)NCC1Cc1ccccc1
InChIInChI=1S/C17H25FN2/c18-10-11-20-14-17(8-4-5-9-17)19-13-16(20)12-15-6-2-1-3-7-15/h1-3,6-7,16,19H,4-5,8-14H2
InChIKeyYIBDXIWGLQOIGO-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-4-ethyl-1,4-diazaspiro[5.5]undecane
CID 64877822
3-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane
CID 64878204
3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane
CID 64878013
9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64877176
8-(2-methylpropyl)-9-(2-phenylmethoxyethyl)-6,9-diazaspiro[4.5]decane
CID 112752388
2-benzyl-5-ethyl-1-(2-fluoroethyl)piperazine
CID 80696999
2-benzyl-1-(3-fluoropropyl)piperazine
CID 81114655
2-benzyl-1,5-diethyl-5-methylpiperazine
CID 64849482
5-benzyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80698298
3-tert-butyl-4-(2-phenylmethoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 112752390
8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876595
3-ethyl-4-(2-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64933062

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane (CID 80696882) is 8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane is FCCN1CC2(CCCC2)NCC1Cc1ccccc1.
What is the InChIKey of 8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is YIBDXIWGLQOIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c18-10-11-20-14-17(8-4-5-9-17)19-13-16(20)12-15-6-2-1-3-7-15/h1-3,6-7,16,19H,4-5,8-14H2.
What are the key properties of 8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane?
8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 276.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-9-(2-fluoroethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 80696882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).