7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane

C18H27FN2 — CID 163255137

IUPAC7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)c1cc(CN2CCC3(CC2)CN(C)C3)ccc1F
InChIInChI=1S/C18H27FN2/c1-14(2)16-10-15(4-5-17(16)19)11-21-8-6-18(7-9-21)12-20(3)13-18/h4-5,10,14H,6-9,11-13H2,1-3H3
InChIKeyUTSDILWOHMNAJI-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.48
Rot. Bonds3

About 7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane

7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 163255137) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID163255137
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)c1cc(CN2CCC3(CC2)CN(C)C3)ccc1F
InChIInChI=1S/C18H27FN2/c1-14(2)16-10-15(4-5-17(16)19)11-21-8-6-18(7-9-21)12-20(3)13-18/h4-5,10,14H,6-9,11-13H2,1-3H3
InChIKeyUTSDILWOHMNAJI-UHFFFAOYSA-N
XLogP3.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane (CID 163255137) is 7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane is CC(C)c1cc(CN2CCC3(CC2)CN(C)C3)ccc1F.
What is the InChIKey of 7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is UTSDILWOHMNAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-14(2)16-10-15(4-5-17(16)19)11-21-8-6-18(7-9-21)12-20(3)13-18/h4-5,10,14H,6-9,11-13H2,1-3H3.
What are the key properties of 7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 290.43 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluoro-3-propan-2-ylphenyl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 163255137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).