benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride

C14H19ClN2O2 — CID 78357894

IUPACbenzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)N1CCNCC12CC2
InChIInChI=1S/C14H18N2O2.ClH/c17-13(18-10-12-4-2-1-3-5-12)16-9-8-15-11-14(16)6-7-14;/h1-5,15H,6-11H2;1H
InChIKeyAWJKXLSFMYJXLL-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.18
Rot. Bonds2

About benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride

benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride (PubChem CID 78357894) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride
PubChem CID78357894
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Namebenzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)N1CCNCC12CC2
InChIInChI=1S/C14H18N2O2.ClH/c17-13(18-10-12-4-2-1-3-5-12)16-9-8-15-11-14(16)6-7-14;/h1-5,15H,6-11H2;1H
InChIKeyAWJKXLSFMYJXLL-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride
CID 131871557
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate
CID 71741476
benzyl 1,2-dihydroxypiperazine-2-carboxylate
CID 141359574
dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate
CID 22215050
benzyl (2S)-2-[1,9-diazaspiro[4.5]decane-1-carbonyl(methyl)amino]-3-methylbutanoate
CID 177219790
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126752953
benzyl 4-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 117272543
benzyl 5,5-difluoro-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 135393291
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276

Frequently Asked Questions

What is the IUPAC name of benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride?
The IUPAC name of benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride (CID 78357894) is benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride.
What is the SMILES notation for benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride?
The canonical SMILES for benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride is Cl.O=C(OCc1ccccc1)N1CCNCC12CC2.
What is the InChIKey of benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride?
The InChIKey is AWJKXLSFMYJXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c17-13(18-10-12-4-2-1-3-5-12)16-9-8-15-11-14(16)6-7-14;/h1-5,15H,6-11H2;1H.
What are the key properties of benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride?
benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride is sourced from PubChem (CID 78357894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).