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

C18H26ClFN2O — CID 91922082

IUPAC8-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(Cc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C18H26ClFN2O/c1-21-11-15(12-23-2)18(13-21)5-7-22(8-6-18)10-14-3-4-17(20)16(19)9-14/h3-4,9,15H,5-8,10-13H2,1-2H3
InChIKeyIPHZYWBQEUHPJP-UHFFFAOYSA-N
MW340.87 g/mol
LogP3.27
Rot. Bonds4

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

8-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 91922082) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is 8-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID91922082
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC Name8-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(Cc1ccc(F)c(Cl)c1)CC2
InChIInChI=1S/C18H26ClFN2O/c1-21-11-15(12-23-2)18(13-21)5-7-22(8-6-18)10-14-3-4-17(20)16(19)9-14/h3-4,9,15H,5-8,10-13H2,1-2H3
InChIKeyIPHZYWBQEUHPJP-UHFFFAOYSA-N
XLogP3.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (CID 91922082) is 8-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is COCC1CN(C)CC12CCN(Cc1ccc(F)c(Cl)c1)CC2.
What is the InChIKey of 8-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is IPHZYWBQEUHPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClFN2O/c1-21-11-15(12-23-2)18(13-21)5-7-22(8-6-18)10-14-3-4-17(20)16(19)9-14/h3-4,9,15H,5-8,10-13H2,1-2H3.
What are the key properties of 8-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
8-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 340.87 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chloro-4-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).