(4R)-1-benzyl-1,7-diazaspiro[3.4]octane

C13H18N2 — CID 97114338

IUPAC(4R)-1-benzyl-1,7-diazaspiro[3.4]octane
SMILESc1ccc(CN2CC[C@@]23CCNC3)cc1
InChIInChI=1S/C13H18N2/c1-2-4-12(5-3-1)10-15-9-7-13(15)6-8-14-11-13/h1-5,14H,6-11H2/t13-/m1/s1
InChIKeyHVFOGWYVURWQFX-CYBMUJFWSA-N
MW202.30 g/mol
LogP1.62
Rot. Bonds2

About (4R)-1-benzyl-1,7-diazaspiro[3.4]octane

(4R)-1-benzyl-1,7-diazaspiro[3.4]octane (PubChem CID 97114338) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (4R)-1-benzyl-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name(4R)-1-benzyl-1,7-diazaspiro[3.4]octane
PubChem CID97114338
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(4R)-1-benzyl-1,7-diazaspiro[3.4]octane
SMILESc1ccc(CN2CC[C@@]23CCNC3)cc1
InChIInChI=1S/C13H18N2/c1-2-4-12(5-3-1)10-15-9-7-13(15)6-8-14-11-13/h1-5,14H,6-11H2/t13-/m1/s1
InChIKeyHVFOGWYVURWQFX-CYBMUJFWSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1,7-diazaspiro[3.4]octane
CID 71302050
(4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane
CID 148987341
7-benzyl-2,7-diazaspiro[5.6]dodecane
CID 82623667
1-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212931
1-benzyl-4-thia-1,8-diazaspiro[5.5]undecane
CID 82380002
1-ethyl-1,7-diazaspiro[3.4]octane
CID 172607243
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
1-benzyl-2-methyl-2-phenylpiperazine
CID 64844450
6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane
CID 64846799
4-benzyl-1-thia-4,9-diazaspiro[4.5]decane
CID 169318676
6-benzyl-6,9-diazaspiro[4.5]decan-4-one
CID 158678480
tert-butyl 5-benzyl-2,5,8-triazaspiro[3.5]nonane-2-carboxylate
CID 122235278

Frequently Asked Questions

What is the IUPAC name of (4R)-1-benzyl-1,7-diazaspiro[3.4]octane?
The IUPAC name of (4R)-1-benzyl-1,7-diazaspiro[3.4]octane (CID 97114338) is (4R)-1-benzyl-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for (4R)-1-benzyl-1,7-diazaspiro[3.4]octane?
The canonical SMILES for (4R)-1-benzyl-1,7-diazaspiro[3.4]octane is c1ccc(CN2CC[C@@]23CCNC3)cc1.
What is the InChIKey of (4R)-1-benzyl-1,7-diazaspiro[3.4]octane?
The InChIKey is HVFOGWYVURWQFX-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-4-12(5-3-1)10-15-9-7-13(15)6-8-14-11-13/h1-5,14H,6-11H2/t13-/m1/s1.
What are the key properties of (4R)-1-benzyl-1,7-diazaspiro[3.4]octane?
(4R)-1-benzyl-1,7-diazaspiro[3.4]octane has a molecular weight of 202.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-benzyl-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97114338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).