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

C13H24N2O2 — CID 2769591

IUPACtert-butyl 4-(cyclopropylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-6-11(7-9-15)14-10-4-5-10/h10-11,14H,4-9H2,1-3H3
InChIKeyGERLYNRROAQLRS-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.14
Rot. Bonds2

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

tert-butyl 4-(cyclopropylamino)piperidine-1-carboxylate (PubChem CID 2769591) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 4-(cyclopropylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(cyclopropylamino)piperidine-1-carboxylate
PubChem CID2769591
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 4-(cyclopropylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-6-11(7-9-15)14-10-4-5-10/h10-11,14H,4-9H2,1-3H3
InChIKeyGERLYNRROAQLRS-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclopropylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(cyclopropylamino)piperidine-1-carboxylate (CID 2769591) is tert-butyl 4-(cyclopropylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(cyclopropylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(cyclopropylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC2CC2)CC1.
What is the InChIKey of tert-butyl 4-(cyclopropylamino)piperidine-1-carboxylate?
The InChIKey is GERLYNRROAQLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-8-6-11(7-9-15)14-10-4-5-10/h10-11,14H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-(cyclopropylamino)piperidine-1-carboxylate?
tert-butyl 4-(cyclopropylamino)piperidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclopropylamino)piperidine-1-carboxylate is sourced from PubChem (CID 2769591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).