methyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate

C12H24N2O2 — CID 118531525

IUPACmethyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate
SMILESCOC(=O)CNC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)14-7-5-10(6-8-14)13-9-11(15)16-4/h10,13H,5-9H2,1-4H3
InChIKeyDETYJPGVCMOWSG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds3

About methyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate

methyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate (PubChem CID 118531525) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate
PubChem CID118531525
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate
SMILESCOC(=O)CNC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)14-7-5-10(6-8-14)13-9-11(15)16-4/h10,13H,5-9H2,1-4H3
InChIKeyDETYJPGVCMOWSG-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate (CID 118531525) is methyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate is COC(=O)CNC1CCN(C(C)(C)C)CC1.
What is the InChIKey of methyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate?
The InChIKey is DETYJPGVCMOWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)14-7-5-10(6-8-14)13-9-11(15)16-4/h10,13H,5-9H2,1-4H3.
What are the key properties of methyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate?
methyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-tert-butylpiperidin-4-yl)amino]acetate is sourced from PubChem (CID 118531525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).