4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane

C17H25FN2 — CID 64925547

IUPAC4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESCC(c1ccc(F)cc1)N1CCNC2(CCCCC2)C1
InChIInChI=1S/C17H25FN2/c1-14(15-5-7-16(18)8-6-15)20-12-11-19-17(13-20)9-3-2-4-10-17/h5-8,14,19H,2-4,9-13H2,1H3
InChIKeyGRBFFXWPICRWRM-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.49
Rot. Bonds2

About 4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane

4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 64925547) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
PubChem CID64925547
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
SMILESCC(c1ccc(F)cc1)N1CCNC2(CCCCC2)C1
InChIInChI=1S/C17H25FN2/c1-14(15-5-7-16(18)8-6-15)20-12-11-19-17(13-20)9-3-2-4-10-17/h5-8,14,19H,2-4,9-13H2,1H3
InChIKeyGRBFFXWPICRWRM-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3-bromophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64953315
9-(3-methylbutan-2-yl)-6,9-diazaspiro[4.5]decane
CID 64923852
4-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1,4,9-triazaspiro[5.5]undecane
CID 146665700
2-[1-(6,9-diazaspiro[4.5]decan-9-yl)ethyl]-5-methyl-1,3-oxazole
CID 106389916
11-[1-(2-chlorophenyl)ethyl]-7,11-diazaspiro[5.6]dodecane
CID 64943252
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
CID 22760403
4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64926208
1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
CID 174450752
3-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-diazaspiro[5.5]undecane
CID 150555367
(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64832860
4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64952525

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane (CID 64925547) is 4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane is CC(c1ccc(F)cc1)N1CCNC2(CCCCC2)C1.
What is the InChIKey of 4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is GRBFFXWPICRWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-14(15-5-7-16(18)8-6-15)20-12-11-19-17(13-20)9-3-2-4-10-17/h5-8,14,19H,2-4,9-13H2,1H3.
What are the key properties of 4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane?
4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 276.40 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64925547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).