2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride

C12H17ClN2 — CID 57416961

IUPAC2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride
SMILESCl.c1ccc(CN2CC3(CNC3)C2)cc1
InChIInChI=1S/C12H16N2.ClH/c1-2-4-11(5-3-1)6-14-9-12(10-14)7-13-8-12;/h1-5,13H,6-10H2;1H
InChIKeyNSAGWYJBYHHNCX-UHFFFAOYSA-N
MW224.74 g/mol
LogP1.51
Rot. Bonds2

About 2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride

2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride (PubChem CID 57416961) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride.

Molecular Properties

Compound Name2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride
PubChem CID57416961
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride
SMILESCl.c1ccc(CN2CC3(CNC3)C2)cc1
InChIInChI=1S/C12H16N2.ClH/c1-2-4-11(5-3-1)6-14-9-12(10-14)7-13-8-12;/h1-5,13H,6-10H2;1H
InChIKeyNSAGWYJBYHHNCX-UHFFFAOYSA-N
XLogP1.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
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(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
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1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
CID 22645922
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
1-benzyl-1,3-diazetidine
CID 67702530
8-benzyl-3,8-diazaspiro[5.6]dodecane
CID 82665591
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
(5-benzyl-5-azaspiro[2.3]hexan-2-yl)methanamine;dihydrochloride
CID 155821438
2-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)benzenesulfonamide
CID 162745740
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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride?
The IUPAC name of 2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride (CID 57416961) is 2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride.
What is the SMILES notation for 2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride?
The canonical SMILES for 2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride is Cl.c1ccc(CN2CC3(CNC3)C2)cc1.
What is the InChIKey of 2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride?
The InChIKey is NSAGWYJBYHHNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.ClH/c1-2-4-11(5-3-1)6-14-9-12(10-14)7-13-8-12;/h1-5,13H,6-10H2;1H.
What are the key properties of 2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride?
2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride has a molecular weight of 224.74 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride is sourced from PubChem (CID 57416961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).