1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane

C18H27FN2 — CID 114832357

IUPAC1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane
SMILESCC(Cc1ccc(F)cc1)N1CCNCC12CCCCC2
InChIInChI=1S/C18H27FN2/c1-15(13-16-5-7-17(19)8-6-16)21-12-11-20-14-18(21)9-3-2-4-10-18/h5-8,15,20H,2-4,9-14H2,1H3
InChIKeyYCQOCEFRBYSUPV-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.36
Rot. Bonds3

About 1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane

1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane (PubChem CID 114832357) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane
PubChem CID114832357
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane
SMILESCC(Cc1ccc(F)cc1)N1CCNCC12CCCCC2
InChIInChI=1S/C18H27FN2/c1-15(13-16-5-7-17(19)8-6-16)21-12-11-20-14-18(21)9-3-2-4-10-18/h5-8,15,20H,2-4,9-14H2,1H3
InChIKeyYCQOCEFRBYSUPV-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane (CID 114832357) is 1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane is CC(Cc1ccc(F)cc1)N1CCNCC12CCCCC2.
What is the InChIKey of 1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is YCQOCEFRBYSUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-15(13-16-5-7-17(19)8-6-16)21-12-11-20-14-18(21)9-3-2-4-10-18/h5-8,15,20H,2-4,9-14H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane?
1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 290.43 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)propan-2-yl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 114832357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).