2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane

C20H24N2O — CID 172672745

IUPAC2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane
SMILESCOc1ccc(N2CC3(CN(CCc4ccccc4)C3)C2)cc1
InChIInChI=1S/C20H24N2O/c1-23-19-9-7-18(8-10-19)22-15-20(16-22)13-21(14-20)12-11-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
InChIKeyJVPVTYBQOWBSMG-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.06
Rot. Bonds5

About 2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane

2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane (PubChem CID 172672745) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane
PubChem CID172672745
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane
SMILESCOc1ccc(N2CC3(CN(CCc4ccccc4)C3)C2)cc1
InChIInChI=1S/C20H24N2O/c1-23-19-9-7-18(8-10-19)22-15-20(16-22)13-21(14-20)12-11-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
InChIKeyJVPVTYBQOWBSMG-UHFFFAOYSA-N
XLogP3.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-9-(2-phenylethyl)-3,9-diaza-6-azoniaspiro[5.5]undecane chloride
CID 53321773
6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane
CID 157015180
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
1-(4-methoxyphenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 1449048
1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 23331334
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-benzylsulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 8694199
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
5-methoxy-3,3-dimethyl-1-(2-phenylethyl)-2H-indole
CID 21328314
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103728682

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane (CID 172672745) is 2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane is COc1ccc(N2CC3(CN(CCc4ccccc4)C3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is JVPVTYBQOWBSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-23-19-9-7-18(8-10-19)22-15-20(16-22)13-21(14-20)12-11-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane?
2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 308.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-(2-phenylethyl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 172672745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).