tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride

C17H25ClN2O2 — CID 138109545

IUPACtert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC2(CCN2Cc2ccccc2)C1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-16(2,3)21-15(20)18-12-17(13-18)9-10-19(17)11-14-7-5-4-6-8-14;/h4-8H,9-13H2,1-3H3;1H
InChIKeyTYXDLCLCOFHNBH-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.30
Rot. Bonds2

About tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride

tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride (PubChem CID 138109545) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride
PubChem CID138109545
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Nametert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CC2(CCN2Cc2ccccc2)C1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-16(2,3)21-15(20)18-12-17(13-18)9-10-19(17)11-14-7-5-4-6-8-14;/h4-8H,9-13H2,1-3H3;1H
InChIKeyTYXDLCLCOFHNBH-UHFFFAOYSA-N
XLogP3.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-benzyl-4,7-diazaspiro[2.5]octane-7-carboxylate
CID 66888528
tert-butyl 5-benzyl-2,5,8-triazaspiro[3.5]nonane-2-carboxylate
CID 122235278
tert-butyl 1-benzyl-1,7-diazaspiro[4.4]nonane-7-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 157149578
tert-butyl 8-benzyl-1-methyl-1,3,8-triazaspiro[4.5]decane-3-carboxylate
CID 10641269
tert-butyl 7-benzyl-3,7,10-triazatricyclo[3.3.3.01,5]undecane-3-carboxylate
CID 146675367
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
tert-butyl 7-benzyl-9-hydroxy-1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 22490278
tert-butyl 2-benzyl-2,8-diazaspiro[3.6]decane-8-carboxylate
CID 139877676
tert-butyl 8-benzyl-9,9-dimethyl-1-oxa-3,8-diazaspiro[5.5]undecane-3-carboxylate
CID 163794916
tert-butyl 9-benzyl-2,9-diazaspiro[4.6]undecane-2-carboxylate
CID 59818863
tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 86326943
tert-butyl 9-benzyl-1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 66545135

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride (CID 138109545) is tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CC2(CCN2Cc2ccccc2)C1.Cl.
What is the InChIKey of tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride?
The InChIKey is TYXDLCLCOFHNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-16(2,3)21-15(20)18-12-17(13-18)9-10-19(17)11-14-7-5-4-6-8-14;/h4-8H,9-13H2,1-3H3;1H.
What are the key properties of tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride?
tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride is sourced from PubChem (CID 138109545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).