7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride

C14H22Cl2N2 — CID 67386428

IUPAC7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
SMILESCl.Cl.c1ccc(CN2CCC3(CC2)CNC3)cc1
InChIInChI=1S/C14H20N2.2ClH/c1-2-4-13(5-3-1)10-16-8-6-14(7-9-16)11-15-12-14;;/h1-5,15H,6-12H2;2*1H
InChIKeyOCNVLZCJFDMBME-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.72
Rot. Bonds2

About 7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride

7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride (PubChem CID 67386428) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride.

Molecular Properties

Compound Name7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
PubChem CID67386428
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
SMILESCl.Cl.c1ccc(CN2CCC3(CC2)CNC3)cc1
InChIInChI=1S/C14H20N2.2ClH/c1-2-4-13(5-3-1)10-16-8-6-14(7-9-16)11-15-12-14;;/h1-5,15H,6-12H2;2*1H
InChIKeyOCNVLZCJFDMBME-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671
2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride
CID 57416961
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane
CID 138056197
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4,4-dimethyl-1,5-diazocane
CID 117014627
azane;1-benzylpiperazine
CID 174866973
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1-benzyl-4-(4-fluorophenyl)piperidin-4-ol;hydrochloride
CID 71627119
(1-benzyl-4-phenylpiperidin-4-yl)methanamine;hydrochloride
CID 170875383

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride?
The IUPAC name of 7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride (CID 67386428) is 7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride.
What is the SMILES notation for 7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride?
The canonical SMILES for 7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride is Cl.Cl.c1ccc(CN2CCC3(CC2)CNC3)cc1.
What is the InChIKey of 7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride?
The InChIKey is OCNVLZCJFDMBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.2ClH/c1-2-4-13(5-3-1)10-16-8-6-14(7-9-16)11-15-12-14;;/h1-5,15H,6-12H2;2*1H.
What are the key properties of 7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride?
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride has a molecular weight of 289.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride is sourced from PubChem (CID 67386428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).