1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane

C14H27FN2 — CID 80698291

IUPAC1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
SMILESCCCC1CN(CCF)C2(CCCCC2)CN1
InChIInChI=1S/C14H27FN2/c1-2-6-13-11-17(10-9-15)14(12-16-13)7-4-3-5-8-14/h13,16H,2-12H2,1H3
InChIKeyVDPKBUFSQLQXEN-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.73
Rot. Bonds4

About 1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane

1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane (PubChem CID 80698291) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
PubChem CID80698291
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
SMILESCCCC1CN(CCF)C2(CCCCC2)CN1
InChIInChI=1S/C14H27FN2/c1-2-6-13-11-17(10-9-15)14(12-16-13)7-4-3-5-8-14/h13,16H,2-12H2,1H3
InChIKeyVDPKBUFSQLQXEN-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80697421
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046
1-(cyclobutylmethyl)-3-propyl-1,4-diazaspiro[5.5]undecane
CID 65460666
8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane
CID 81114428
3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80696604
2-ethyl-1-(2-fluoroethyl)-2-methyl-5-propylpiperazine
CID 80698159
3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane
CID 64843543
3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
CID 64849927
1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64848961
3-propyl-1-(thiophen-3-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64839410
6-butan-2-yl-8-propyl-6,9-diazaspiro[4.5]decane
CID 79444829
6-[(4-iodophenyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane
CID 65490573

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane (CID 80698291) is 1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane is CCCC1CN(CCF)C2(CCCCC2)CN1.
What is the InChIKey of 1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is VDPKBUFSQLQXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c1-2-6-13-11-17(10-9-15)14(12-16-13)7-4-3-5-8-14/h13,16H,2-12H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane?
1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 242.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-propyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 80698291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).