2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane

C16H24FN3 — CID 102849368

IUPAC2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane
SMILESCC(c1ccc(F)cn1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H24FN3/c1-13(15-5-4-14(17)10-19-15)20-9-3-7-16(12-20)6-2-8-18-11-16/h4-5,10,13,18H,2-3,6-9,11-12H2,1H3
InChIKeyDNMJHXYKCFOPCX-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.75
Rot. Bonds2

About 2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane

2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane (PubChem CID 102849368) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane
PubChem CID102849368
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane
SMILESCC(c1ccc(F)cn1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C16H24FN3/c1-13(15-5-4-14(17)10-19-15)20-9-3-7-16(12-20)6-2-8-18-11-16/h4-5,10,13,18H,2-3,6-9,11-12H2,1H3
InChIKeyDNMJHXYKCFOPCX-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-fluorophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102849330
4-[1-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-2-methyl-1,3-thiazole
CID 102849371
2-[1-(4-bromophenyl)ethyl]-2,8-diazaspiro[5.5]undecane
CID 102849380
8-propan-2-yl-2,8-diazaspiro[5.6]dodecane
CID 168995740
1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 83129243
2-(1-phenylbutan-2-yl)-2,8-diazaspiro[5.5]undecane
CID 102849402
2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 102850231
5-fluoro-2-[1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethyl]pyridine
CID 83124822
1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 83109808
1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 83124667
2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]ethanamine
CID 83124823
2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659957

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane (CID 102849368) is 2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane is CC(c1ccc(F)cn1)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane?
The InChIKey is DNMJHXYKCFOPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-13(15-5-4-14(17)10-19-15)20-9-3-7-16(12-20)6-2-8-18-11-16/h4-5,10,13,18H,2-3,6-9,11-12H2,1H3.
What are the key properties of 2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane?
2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane has a molecular weight of 277.39 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102849368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).