methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate

C10H21N3O2 — CID 83990119

IUPACmethyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate
SMILESCNC1CC(C(=O)OC)CN(CCN)C1
InChIInChI=1S/C10H21N3O2/c1-12-9-5-8(10(14)15-2)6-13(7-9)4-3-11/h8-9,12H,3-7,11H2,1-2H3
InChIKeyGDCJBUOYZBNFHB-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.97
Rot. Bonds4

About methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate

methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate (PubChem CID 83990119) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate
PubChem CID83990119
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Namemethyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate
SMILESCNC1CC(C(=O)OC)CN(CCN)C1
InChIInChI=1S/C10H21N3O2/c1-12-9-5-8(10(14)15-2)6-13(7-9)4-3-11/h8-9,12H,3-7,11H2,1-2H3
InChIKeyGDCJBUOYZBNFHB-UHFFFAOYSA-N
XLogP-0.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate
CID 83990097
methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994797
1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543589
methyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 115071449
methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582
methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate
CID 83995596
methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
CID 83992828
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid
CID 83990009
methyl 1-(4-aminobutyl)piperidine-3-carboxylate
CID 115533732
methyl 1-(3-aminopropyl)piperidine-3-carboxylate
CID 115533707
1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid
CID 83990036

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate (CID 83990119) is methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate is CNC1CC(C(=O)OC)CN(CCN)C1.
What is the InChIKey of methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate?
The InChIKey is GDCJBUOYZBNFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-12-9-5-8(10(14)15-2)6-13(7-9)4-3-11/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate?
methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate has a molecular weight of 215.30 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate is sourced from PubChem (CID 83990119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).