methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate

C10H20N2O2 — CID 83847995

IUPACmethyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(CN)C1(C)C
InChIInChI=1S/C10H20N2O2/c1-10(2)8(7-11)5-4-6-12(10)9(13)14-3/h8H,4-7,11H2,1-3H3
InChIKeyAIJTUUGJVFEKBT-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.20
Rot. Bonds1

About methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate

methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate (PubChem CID 83847995) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate
PubChem CID83847995
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(CN)C1(C)C
InChIInChI=1S/C10H20N2O2/c1-10(2)8(7-11)5-4-6-12(10)9(13)14-3/h8H,4-7,11H2,1-3H3
InChIKeyAIJTUUGJVFEKBT-UHFFFAOYSA-N
XLogP1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate?
The IUPAC name of methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate (CID 83847995) is methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate?
The canonical SMILES for methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate is COC(=O)N1CCCC(CN)C1(C)C.
What is the InChIKey of methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate?
The InChIKey is AIJTUUGJVFEKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2)8(7-11)5-4-6-12(10)9(13)14-3/h8H,4-7,11H2,1-3H3.
What are the key properties of methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate?
methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)-2,2-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 83847995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).