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

C20H32N2O — CID 91922022

IUPAC4-(methoxymethyl)-2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2ccc(C(C)C)cc2)CC12CCNCC2
InChIInChI=1S/C20H32N2O/c1-16(2)18-6-4-17(5-7-18)12-22-13-19(14-23-3)20(15-22)8-10-21-11-9-20/h4-7,16,19,21H,8-15H2,1-3H3
InChIKeyKLZJHPGPTXYFNV-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.26
Rot. Bonds5

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

4-(methoxymethyl)-2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 91922022) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID91922022
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name4-(methoxymethyl)-2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2ccc(C(C)C)cc2)CC12CCNCC2
InChIInChI=1S/C20H32N2O/c1-16(2)18-6-4-17(5-7-18)12-22-13-19(14-23-3)20(15-22)8-10-21-11-9-20/h4-7,16,19,21H,8-15H2,1-3H3
InChIKeyKLZJHPGPTXYFNV-UHFFFAOYSA-N
XLogP3.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(methoxymethyl)-2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane (CID 91922022) is 4-(methoxymethyl)-2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(methoxymethyl)-2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(methoxymethyl)-2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane is COCC1CN(Cc2ccc(C(C)C)cc2)CC12CCNCC2.
What is the InChIKey of 4-(methoxymethyl)-2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is KLZJHPGPTXYFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-16(2)18-6-4-17(5-7-18)12-22-13-19(14-23-3)20(15-22)8-10-21-11-9-20/h4-7,16,19,21H,8-15H2,1-3H3.
What are the key properties of 4-(methoxymethyl)-2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane?
4-(methoxymethyl)-2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 316.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91922022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).