4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C18H27FN2O2 — CID 131641424

IUPAC4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCC(C)N1CCOCC2(CN(Cc3ccc(F)cc3)CCO2)C1
InChIInChI=1S/C18H27FN2O2/c1-15(2)21-8-9-22-14-18(13-21)12-20(7-10-23-18)11-16-3-5-17(19)6-4-16/h3-6,15H,7-14H2,1-2H3
InChIKeyGRZLBLUZBKNOER-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.14
Rot. Bonds3

About 4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 131641424) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID131641424
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCC(C)N1CCOCC2(CN(Cc3ccc(F)cc3)CCO2)C1
InChIInChI=1S/C18H27FN2O2/c1-15(2)21-8-9-22-14-18(13-21)12-20(7-10-23-18)11-16-3-5-17(19)6-4-16/h3-6,15H,7-14H2,1-2H3
InChIKeyGRZLBLUZBKNOER-UHFFFAOYSA-N
XLogP2.14
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 131641424) is 4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is CC(C)N1CCOCC2(CN(Cc3ccc(F)cc3)CCO2)C1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is GRZLBLUZBKNOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-15(2)21-8-9-22-14-18(13-21)12-20(7-10-23-18)11-16-3-5-17(19)6-4-16/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 322.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 131641424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).