tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate

C16H32N2O2 — CID 84813183

IUPACtert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate
SMILESCC(C)CC1CC(CCN)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)10-14-11-13(6-8-17)7-9-18(14)15(19)20-16(3,4)5/h12-14H,6-11,17H2,1-5H3
InChIKeyLELRJFVQLCOEND-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.40
Rot. Bonds4

About tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate

tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate (PubChem CID 84813183) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate
PubChem CID84813183
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate
SMILESCC(C)CC1CC(CCN)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O2/c1-12(2)10-14-11-13(6-8-17)7-9-18(14)15(19)20-16(3,4)5/h12-14H,6-11,17H2,1-5H3
InChIKeyLELRJFVQLCOEND-UHFFFAOYSA-N
XLogP3.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(2-aminoethyl)-2-ethylpiperidine-1-carboxylate
CID 84805351
tert-butyl 2-(2-methylpropyl)azetidine-1-carboxylate
CID 143769589
tert-butyl 4-cyano-2-(2-methylpropyl)piperidine-1-carboxylate
CID 66732195
tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 83487199
tert-butyl 4-amino-2-butylpiperidine-1-carboxylate
CID 175292956
tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 156892220
tert-butyl 4-(hydroxymethyl)-2-(methoxymethyl)piperidine-1-carboxylate
CID 172691809
tert-butyl (2R)-2-(3-aminopropyl)piperidine-1-carboxylate
CID 34178148
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756484
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl (2R)-2-(2-hydroxyethyl)azetidine-1-carboxylate
CID 58617998
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate (CID 84813183) is tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate is CC(C)CC1CC(CCN)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate?
The InChIKey is LELRJFVQLCOEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)10-14-11-13(6-8-17)7-9-18(14)15(19)20-16(3,4)5/h12-14H,6-11,17H2,1-5H3.
What are the key properties of tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate?
tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 84813183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).