2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C17H24ClFN2O — CID 91910491

IUPAC2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2ccc(Cl)c(F)c2)CC12CCNCC2
InChIInChI=1S/C17H24ClFN2O/c1-22-11-14-10-21(12-17(14)4-6-20-7-5-17)9-13-2-3-15(18)16(19)8-13/h2-3,8,14,20H,4-7,9-12H2,1H3
InChIKeyLHRRYIXXRXFCHE-UHFFFAOYSA-N
MW326.84 g/mol
LogP2.93
Rot. Bonds4

About 2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91910491) has the molecular formula C17H24ClFN2O and a molecular weight of 326.84 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91910491
Molecular FormulaC17H24ClFN2O
Molecular Weight326.84 g/mol
Exact Mass326.16
IUPAC Name2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2ccc(Cl)c(F)c2)CC12CCNCC2
InChIInChI=1S/C17H24ClFN2O/c1-22-11-14-10-21(12-17(14)4-6-20-7-5-17)9-13-2-3-15(18)16(19)8-13/h2-3,8,14,20H,4-7,9-12H2,1H3
InChIKeyLHRRYIXXRXFCHE-UHFFFAOYSA-N
XLogP2.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.84
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91910491) is 2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is COCC1CN(Cc2ccc(Cl)c(F)c2)CC12CCNCC2.
What is the InChIKey of 2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is LHRRYIXXRXFCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFN2O/c1-22-11-14-10-21(12-17(14)4-6-20-7-5-17)9-13-2-3-15(18)16(19)8-13/h2-3,8,14,20H,4-7,9-12H2,1H3.
What are the key properties of 2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 326.84 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91910491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).