tert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate

C15H28N2O2 — CID 115071790

IUPACtert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CC1(N)CCC1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-5-4-7-12(17)11-15(16)8-6-9-15/h12H,4-11,16H2,1-3H3
InChIKeyJMXBEKIEVDOSRW-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.05
Rot. Bonds2

About tert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate

tert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate (PubChem CID 115071790) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate
PubChem CID115071790
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CC1(N)CCC1
InChIInChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-5-4-7-12(17)11-15(16)8-6-9-15/h12H,4-11,16H2,1-3H3
InChIKeyJMXBEKIEVDOSRW-UHFFFAOYSA-N
XLogP3.05
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[(1-aminocyclopropyl)methyl]pyrrolidine-1-carboxylate
CID 84702069
tert-butyl (2S)-2-(2-oxopropyl)azepane-1-carboxylate
CID 96581062
tert-butyl 2-[[1-(methylamino)cyclopropyl]methyl]piperidine-1-carboxylate
CID 84712234
tert-butyl 2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 14105087
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl (2R)-2-(2-hydrazinyl-2-oxoethyl)piperidine-1-carboxylate
CID 126582665
tert-butyl (2R)-2-(3-aminopropyl)piperidine-1-carboxylate
CID 34178148
tert-butyl 2-(2-cyclopropyl-2-oxoethyl)piperidine-1-carboxylate
CID 79536550
tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
CID 82040400
tert-butyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 13113449
tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate (CID 115071790) is tert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CC1(N)CCC1.
What is the InChIKey of tert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate?
The InChIKey is JMXBEKIEVDOSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-5-4-7-12(17)11-15(16)8-6-9-15/h12H,4-11,16H2,1-3H3.
What are the key properties of tert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate?
tert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1-aminocyclobutyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 115071790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).