2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C17H25FN2O — CID 91910487

IUPAC2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2ccccc2F)CC12CCNCC2
InChIInChI=1S/C17H25FN2O/c1-21-12-15-11-20(10-14-4-2-3-5-16(14)18)13-17(15)6-8-19-9-7-17/h2-5,15,19H,6-13H2,1H3
InChIKeyAHGSCLVNQIYWGT-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.27
Rot. Bonds4

About 2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91910487) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91910487
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2ccccc2F)CC12CCNCC2
InChIInChI=1S/C17H25FN2O/c1-21-12-15-11-20(10-14-4-2-3-5-16(14)18)13-17(15)6-8-19-9-7-17/h2-5,15,19H,6-13H2,1H3
InChIKeyAHGSCLVNQIYWGT-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91910487) is 2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is COCC1CN(Cc2ccccc2F)CC12CCNCC2.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is AHGSCLVNQIYWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-21-12-15-11-20(10-14-4-2-3-5-16(14)18)13-17(15)6-8-19-9-7-17/h2-5,15,19H,6-13H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 292.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91910487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).