3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane

C18H27FN2 — CID 138056197

IUPAC3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane
SMILESFCCN1CCC2(CC1)CCN(Cc1ccccc1)CC2
InChIInChI=1S/C18H27FN2/c19-10-15-20-11-6-18(7-12-20)8-13-21(14-9-18)16-17-4-2-1-3-5-17/h1-5H,6-16H2
InChIKeyBGOXYEXIROWBAI-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.33
Rot. Bonds4

About 3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane

3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 138056197) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane
PubChem CID138056197
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane
SMILESFCCN1CCC2(CC1)CCN(Cc1ccccc1)CC2
InChIInChI=1S/C18H27FN2/c19-10-15-20-11-6-18(7-12-20)8-13-21(14-9-18)16-17-4-2-1-3-5-17/h1-5H,6-16H2
InChIKeyBGOXYEXIROWBAI-UHFFFAOYSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-benzyl-3-(1-fluoro-2-methylpropan-2-yl)-3,9-diazaspiro[5.5]undecane
CID 170703028
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-4-(fluoromethyl)azepan-4-amine
CID 115041654
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
N,1-dibenzyl-4-(fluoromethyl)-N-methylpiperidin-4-amine
CID 54229250
4-[9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]aniline
CID 153076853

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane (CID 138056197) is 3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane is FCCN1CCC2(CC1)CCN(Cc1ccccc1)CC2.
What is the InChIKey of 3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is BGOXYEXIROWBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c19-10-15-20-11-6-18(7-12-20)8-13-21(14-9-18)16-17-4-2-1-3-5-17/h1-5H,6-16H2.
What are the key properties of 3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane?
3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 290.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 138056197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).