tert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate

C13H26N2O2 — CID 84703388

IUPACtert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)C(C)(C)C1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-7-6-10(8-14)13(4,5)9-15/h10H,6-9,14H2,1-5H3
InChIKeyKILFTHXFTRTDPJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.23
Rot. Bonds1

About tert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate

tert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate (PubChem CID 84703388) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate
PubChem CID84703388
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN)C(C)(C)C1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-7-6-10(8-14)13(4,5)9-15/h10H,6-9,14H2,1-5H3
InChIKeyKILFTHXFTRTDPJ-UHFFFAOYSA-N
XLogP2.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate (CID 84703388) is tert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CN)C(C)(C)C1.
What is the InChIKey of tert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate?
The InChIKey is KILFTHXFTRTDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-7-6-10(8-14)13(4,5)9-15/h10H,6-9,14H2,1-5H3.
What are the key properties of tert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate?
tert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)-3,3-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 84703388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).