tert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate

C13H24N2O3 — CID 88877258

IUPACtert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(N)CC=O)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15-7-4-10(5-8-15)11(14)6-9-16/h9-11H,4-8,14H2,1-3H3
InChIKeyXFAIXEXDMLAMFL-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.55
Rot. Bonds3

About tert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate

tert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate (PubChem CID 88877258) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate
PubChem CID88877258
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(N)CC=O)CC1
InChIInChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15-7-4-10(5-8-15)11(14)6-9-16/h9-11H,4-8,14H2,1-3H3
InChIKeyXFAIXEXDMLAMFL-UHFFFAOYSA-N
XLogP1.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate
CID 115050049
tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride
CID 46738164
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(1R,2S)-2-amino-1-hydroxybutyl]piperidine-1-carboxylate
CID 86336778
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride
CID 174994313
tert-butyl 4-[1-amino-2-(4-bromophenyl)ethyl]piperidine-1-carboxylate
CID 174556643
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(2-amino-3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate
CID 166756850
tert-butyl 4-[(1S)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate
CID 126741779
tert-butyl 4-[(1R)-1-amino-2,2,2-trifluoroethyl]piperidine-1-carboxylate
CID 95731662
tert-butyl 4-[(1S)-1-amino-2,2,2-trifluoroethyl]piperidine-1-carboxylate
CID 95731661

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate (CID 88877258) is tert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(N)CC=O)CC1.
What is the InChIKey of tert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate?
The InChIKey is XFAIXEXDMLAMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)15-7-4-10(5-8-15)11(14)6-9-16/h9-11H,4-8,14H2,1-3H3.
What are the key properties of tert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate?
tert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 88877258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).