tert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate

C12H24N2O3 — CID 82385597

IUPACtert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(O)CN)C1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-6-4-5-9(8-14)10(15)7-13/h9-10,15H,4-8,13H2,1-3H3
InChIKeyIYMBMWCFDPSCSD-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.95
Rot. Bonds2

About tert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate

tert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 82385597) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
PubChem CID82385597
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(O)CN)C1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-6-4-5-9(8-14)10(15)7-13/h9-10,15H,4-8,13H2,1-3H3
InChIKeyIYMBMWCFDPSCSD-UHFFFAOYSA-N
XLogP0.95
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate (CID 82385597) is tert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(O)CN)C1.
What is the InChIKey of tert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is IYMBMWCFDPSCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-6-4-5-9(8-14)10(15)7-13/h9-10,15H,4-8,13H2,1-3H3.
What are the key properties of tert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate?
tert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 82385597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).