2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane

C16H23FN2 — CID 120907093

IUPAC2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CCNCC3)C2)ccc1F
InChIInChI=1S/C16H23FN2/c1-13-10-14(2-3-15(13)17)11-19-9-6-16(12-19)4-7-18-8-5-16/h2-3,10,18H,4-9,11-12H2,1H3
InChIKeyIHOIJXARKRHZPF-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.71
Rot. Bonds2

About 2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane

2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 120907093) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID120907093
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCc1cc(CN2CCC3(CCNCC3)C2)ccc1F
InChIInChI=1S/C16H23FN2/c1-13-10-14(2-3-15(13)17)11-19-9-6-16(12-19)4-7-18-8-5-16/h2-3,10,18H,4-9,11-12H2,1H3
InChIKeyIHOIJXARKRHZPF-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluoro-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908775
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906721
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906720
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906518
2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906816
2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907058
[1-[(4-fluoro-3-methylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780449
2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154891864
7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909663
(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95724567
2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906820
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane (CID 120907093) is 2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane is Cc1cc(CN2CCC3(CCNCC3)C2)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is IHOIJXARKRHZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-13-10-14(2-3-15(13)17)11-19-9-6-16(12-19)4-7-18-8-5-16/h2-3,10,18H,4-9,11-12H2,1H3.
What are the key properties of 2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 262.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120907093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).