tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate

C12H24N2O2 — CID 22647295

IUPACtert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate
SMILESCC(N)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-9(13)10-5-7-14(8-6-10)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyFQUVAASUKJSNRV-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.98
Rot. Bonds1

About tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate

tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate (PubChem CID 22647295) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate
PubChem CID22647295
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate
SMILESCC(N)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-9(13)10-5-7-14(8-6-10)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3
InChIKeyFQUVAASUKJSNRV-UHFFFAOYSA-N
XLogP1.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate (CID 22647295) is tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate is CC(N)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate?
The InChIKey is FQUVAASUKJSNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(13)10-5-7-14(8-6-10)11(15)16-12(2,3)4/h9-10H,5-8,13H2,1-4H3.
What are the key properties of tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate?
tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-aminoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 22647295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).