tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate

C12H24N2O3 — CID 22708830

IUPACtert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate
SMILESCOC1CN(C(=O)OC(C)(C)C)CCC1CN
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-6-5-9(7-13)10(8-14)16-4/h9-10H,5-8,13H2,1-4H3
InChIKeyWXQMQAMXMZTBAB-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.22
Rot. Bonds2

About tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate

tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate (PubChem CID 22708830) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate
PubChem CID22708830
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate
SMILESCOC1CN(C(=O)OC(C)(C)C)CCC1CN
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-6-5-9(7-13)10(8-14)16-4/h9-10H,5-8,13H2,1-4H3
InChIKeyWXQMQAMXMZTBAB-UHFFFAOYSA-N
XLogP1.22
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate (CID 22708830) is tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate is COC1CN(C(=O)OC(C)(C)C)CCC1CN.
What is the InChIKey of tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate?
The InChIKey is WXQMQAMXMZTBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-6-5-9(7-13)10(8-14)16-4/h9-10H,5-8,13H2,1-4H3.
What are the key properties of tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate?
tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(aminomethyl)-3-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 22708830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).