tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate

C11H23N3O2 — CID 22975818

IUPACtert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(CN)CC1
InChIInChI=1S/C11H23N3O2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-8,12-13H2,1-3H3
InChIKeyGFRZXIHYVYRFPV-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.67
Rot. Bonds1

About tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate

tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate (PubChem CID 22975818) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate
PubChem CID22975818
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Nametert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(CN)CC1
InChIInChI=1S/C11H23N3O2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-8,12-13H2,1-3H3
InChIKeyGFRZXIHYVYRFPV-UHFFFAOYSA-N
XLogP0.67
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate (CID 22975818) is tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)(CN)CC1.
What is the InChIKey of tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate?
The InChIKey is GFRZXIHYVYRFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10(2,3)16-9(15)14-6-4-11(13,8-12)5-7-14/h4-8,12-13H2,1-3H3.
What are the key properties of tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate?
tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 22975818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).