4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane

C16H23FN2 — CID 64926208

IUPAC4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
SMILESCc1ccc(F)cc1N1CCNC2(CCCCC2)C1
InChIInChI=1S/C16H23FN2/c1-13-5-6-14(17)11-15(13)19-10-9-18-16(12-19)7-3-2-4-8-16/h5-6,11,18H,2-4,7-10,12H2,1H3
InChIKeyWONNQFHTTULRGE-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.25
Rot. Bonds1

About 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane

4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64926208) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64926208
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
SMILESCc1ccc(F)cc1N1CCNC2(CCCCC2)C1
InChIInChI=1S/C16H23FN2/c1-13-5-6-14(17)11-15(13)19-10-9-18-16(12-19)7-3-2-4-8-16/h5-6,11,18H,2-4,7-10,12H2,1H3
InChIKeyWONNQFHTTULRGE-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane
CID 64944299
10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64942821
4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64952525
4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64924817
9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane
CID 64954522
10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 107594271
3-ethyl-4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64931267
4-(2,4,5-trichlorophenyl)-1,4-diazaspiro[5.5]undecane
CID 64926469
11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane
CID 64951580
11-[(4-fluoro-2-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 114349619
4-(5-bromo-2-methoxyphenyl)-1,4-diazaspiro[5.5]undecane
CID 64954511
4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 65431049

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane (CID 64926208) is 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane is Cc1ccc(F)cc1N1CCNC2(CCCCC2)C1.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is WONNQFHTTULRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-13-5-6-14(17)11-15(13)19-10-9-18-16(12-19)7-3-2-4-8-16/h5-6,11,18H,2-4,7-10,12H2,1H3.
What are the key properties of 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane?
4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 262.37 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64926208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).