4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane

C16H23FN2 — CID 64952525

IUPAC4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
SMILESCc1c(F)cccc1N1CCNC2(CCCCC2)C1
InChIInChI=1S/C16H23FN2/c1-13-14(17)6-5-7-15(13)19-11-10-18-16(12-19)8-3-2-4-9-16/h5-7,18H,2-4,8-12H2,1H3
InChIKeyGJDBCQKWMBUVQM-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.25
Rot. Bonds1

About 4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane

4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 64952525) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
PubChem CID64952525
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
SMILESCc1c(F)cccc1N1CCNC2(CCCCC2)C1
InChIInChI=1S/C16H23FN2/c1-13-14(17)6-5-7-15(13)19-11-10-18-16(12-19)8-3-2-4-9-16/h5-7,18H,2-4,8-12H2,1H3
InChIKeyGJDBCQKWMBUVQM-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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane (CID 64952525) is 4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane is Cc1c(F)cccc1N1CCNC2(CCCCC2)C1.
What is the InChIKey of 4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is GJDBCQKWMBUVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-13-14(17)6-5-7-15(13)19-11-10-18-16(12-19)8-3-2-4-9-16/h5-7,18H,2-4,8-12H2,1H3.
What are the key properties of 4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane?
4-(3-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-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64952525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).