tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate

C15H28N2O2 — CID 115050049

IUPACtert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(N)C2CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-8-6-11(7-9-17)10-13(16)12-4-5-12/h11-13H,4-10,16H2,1-3H3
InChIKeyOLASOOPMHUAVSK-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.76
Rot. Bonds3

About tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate

tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate (PubChem CID 115050049) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate
PubChem CID115050049
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(N)C2CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-8-6-11(7-9-17)10-13(16)12-4-5-12/h11-13H,4-10,16H2,1-3H3
InChIKeyOLASOOPMHUAVSK-UHFFFAOYSA-N
XLogP2.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
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-3-oxopropyl)piperidine-1-carboxylate
CID 88877258
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 4-(2-aminopropyl)azepane-1-carboxylate
CID 83913153
tert-butyl 4-[(2S)-2-amino-3-(methylamino)-3-oxopropyl]piperidine-1-carboxylate
CID 67861069
tert-butyl 4-(2-amino-3-hydroxypropyl)piperidine-1-carboxylate;tert-butyl 3-(hydroxymethyl)azetidine-1-carboxylate
CID 166756850
tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate
CID 53302080
tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride
CID 46738164
tert-butyl 4-(2-hydroxypentyl)piperidine-1-carboxylate
CID 18423469
tert-butyl 4-(2-methylbut-3-enyl)piperidine-1-carboxylate
CID 142324969

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate (CID 115050049) is tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(N)C2CC2)CC1.
What is the InChIKey of tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate?
The InChIKey is OLASOOPMHUAVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)17-8-6-11(7-9-17)10-13(16)12-4-5-12/h11-13H,4-10,16H2,1-3H3.
What are the key properties of tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate?
tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-amino-2-cyclopropylethyl)piperidine-1-carboxylate is sourced from PubChem (CID 115050049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).