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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Related Compounds

ethane;1-[(3-fluoro-4-propan-2-ylphenyl)methyl]-4-propan-2-ylpiperazine
CID 145147233
7-[(2-chloropyrimidin-5-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 118221031
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
4-[7-[(3-ethoxy-4-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]benzoic acid
CID 168966382
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
2-fluoro-5-[(4-methylpiperazin-1-yl)methyl]aniline
CID 84789213
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
CID 765192
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
2-[(3-fluoro-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908775
3-[(4-fluorophenyl)methyl]-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 97370656
8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 59805850

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).