4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane

C16H24N2O — CID 11436891

IUPAC4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane
SMILESc1ccc(COCCN2CCN3CCC2CC3)cc1
InChIInChI=1S/C16H24N2O/c1-2-4-15(5-3-1)14-19-13-12-18-11-10-17-8-6-16(18)7-9-17/h1-5,16H,6-14H2
InChIKeyCIRJBIVVIIOCFQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.98
Rot. Bonds5

About 4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane

4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane (PubChem CID 11436891) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane
PubChem CID11436891
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane
SMILESc1ccc(COCCN2CCN3CCC2CC3)cc1
InChIInChI=1S/C16H24N2O/c1-2-4-15(5-3-1)14-19-13-12-18-11-10-17-8-6-16(18)7-9-17/h1-5,16H,6-14H2
InChIKeyCIRJBIVVIIOCFQ-UHFFFAOYSA-N
XLogP1.98
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526
4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide
CID 24728036
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
3-methyl-2-nitroso-1-(2-phenylmethoxyethyl)azetidine
CID 134504603
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
(2R,3R,4R)-2-(hydroxymethyl)-4-phenylmethoxy-1-(2-phenylmethoxyethyl)pyrrolidin-3-ol
CID 53230988
2-(cyclopropylmethoxy)ethoxymethylbenzene
CID 54083813
3-(2-phenylmethoxyethyl)imidazolidine-2,4-dione
CID 19829208
1-(2-phenylmethoxyethyl)pyrrole-2-carboxylic acid
CID 137425559
3-tert-butyl-4-(2-phenylmethoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 112752390
1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide
CID 139907384

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane?
The IUPAC name of 4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane (CID 11436891) is 4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane is c1ccc(COCCN2CCN3CCC2CC3)cc1.
What is the InChIKey of 4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane?
The InChIKey is CIRJBIVVIIOCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-4-15(5-3-1)14-19-13-12-18-11-10-17-8-6-16(18)7-9-17/h1-5,16H,6-14H2.
What are the key properties of 4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane?
4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane has a molecular weight of 260.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 11436891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).