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

C13H26N2O2 — CID 79549369

IUPACtert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
SMILESCC(N)CC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-10(14)9-11-7-5-6-8-15(11)12(16)17-13(2,3)4/h10-11H,5-9,14H2,1-4H3
InChIKeyBGMHFGLSAFJHMH-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.51
Rot. Bonds2

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

tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate (PubChem CID 79549369) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
PubChem CID79549369
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
SMILESCC(N)CC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-10(14)9-11-7-5-6-8-15(11)12(16)17-13(2,3)4/h10-11H,5-9,14H2,1-4H3
InChIKeyBGMHFGLSAFJHMH-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

tert-butyl 2-(2-amino-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
CID 84715449
tert-butyl 2-(aminomethyl)azepane-1-carboxylate
CID 44607628
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
CID 103723958
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
CID 103723941
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
CID 82040400
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl 2-(2-hydroxy-3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 134341292

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate (CID 79549369) is tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate is CC(N)CC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate?
The InChIKey is BGMHFGLSAFJHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(14)9-11-7-5-6-8-15(11)12(16)17-13(2,3)4/h10-11H,5-9,14H2,1-4H3.
What are the key properties of tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate?
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 79549369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).