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

C13H27N3O2 — CID 83994797

IUPACmethyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCC(C)C)CN(CCN)C1
InChIInChI=1S/C13H27N3O2/c1-10(2)7-15-12-6-11(13(17)18-3)8-16(9-12)5-4-14/h10-12,15H,4-9,14H2,1-3H3
InChIKeyMNUQLDUHIZSBFL-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.05
Rot. Bonds6

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

methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate (PubChem CID 83994797) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
PubChem CID83994797
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Namemethyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCC(C)C)CN(CCN)C1
InChIInChI=1S/C13H27N3O2/c1-10(2)7-15-12-6-11(13(17)18-3)8-16(9-12)5-4-14/h10-12,15H,4-9,14H2,1-3H3
InChIKeyMNUQLDUHIZSBFL-UHFFFAOYSA-N
XLogP0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate
CID 83990119
methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate
CID 83994391
methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
CID 83992828
methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate
CID 83995596
methyl 1-(3-methylcyclobutyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994584
methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate
CID 83990097
methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83994928
1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543589
methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83997694
methyl 2-[1-(2-aminoethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetate
CID 83996184
methyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 115071449
methyl 5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylate
CID 83993008

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate (CID 83994797) is methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate is COC(=O)C1CC(NCC(C)C)CN(CCN)C1.
What is the InChIKey of methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate?
The InChIKey is MNUQLDUHIZSBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(2)7-15-12-6-11(13(17)18-3)8-16(9-12)5-4-14/h10-12,15H,4-9,14H2,1-3H3.
What are the key properties of methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate?
methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate has a molecular weight of 257.38 g/mol, XLogP of 0.05, 6 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-(2-methylpropylamino)piperidine-3-carboxylate is sourced from PubChem (CID 83994797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).