methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate

C15H31N3O2 — CID 83996184

IUPACmethyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate
SMILESCOC(=O)CC1CC(NCCC(C)C)CN(CCN)C1
InChIInChI=1S/C15H31N3O2/c1-12(2)4-6-17-14-8-13(9-15(19)20-3)10-18(11-14)7-5-16/h12-14,17H,4-11,16H2,1-3H3
InChIKeyOLSVGOABUFWJII-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.83
Rot. Bonds8

About methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate

methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate (PubChem CID 83996184) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate
PubChem CID83996184
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Namemethyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate
SMILESCOC(=O)CC1CC(NCCC(C)C)CN(CCN)C1
InChIInChI=1S/C15H31N3O2/c1-12(2)4-6-17-14-8-13(9-15(19)20-3)10-18(11-14)7-5-16/h12-14,17H,4-11,16H2,1-3H3
InChIKeyOLSVGOABUFWJII-UHFFFAOYSA-N
XLogP0.83
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate
CID 112543593
methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994184
methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
CID 83995572
methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate
CID 83991353
ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate
CID 83996099
2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid
CID 83995994
methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
CID 83990197
methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994797
methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate
CID 83995596
methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994370
3-[3-(3-methylbutylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83996060
methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
CID 83997020

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate (CID 83996184) is methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate is COC(=O)CC1CC(NCCC(C)C)CN(CCN)C1.
What is the InChIKey of methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate?
The InChIKey is OLSVGOABUFWJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-12(2)4-6-17-14-8-13(9-15(19)20-3)10-18(11-14)7-5-16/h12-14,17H,4-11,16H2,1-3H3.
What are the key properties of methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate?
methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate has a molecular weight of 285.43 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 83996184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).