tert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate

C13H26N2O2 — CID 44607629

IUPACtert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CCCN
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-10-5-4-7-11(15)8-6-9-14/h11H,4-10,14H2,1-3H3
InChIKeyDEVQNGIGYDAQMD-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.51
Rot. Bonds3

About tert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate

tert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate (PubChem CID 44607629) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate
PubChem CID44607629
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CCCN
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-10-5-4-7-11(15)8-6-9-14/h11H,4-10,14H2,1-3H3
InChIKeyDEVQNGIGYDAQMD-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate (CID 44607629) is tert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CCCN.
What is the InChIKey of tert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate?
The InChIKey is DEVQNGIGYDAQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-10-5-4-7-11(15)8-6-9-14/h11H,4-10,14H2,1-3H3.
What are the key properties of tert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate?
tert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-aminopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 44607629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).