methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate

C13H27N3O2 — CID 63054552

IUPACmethyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate
SMILESCNC(CCN(C)C1CCCN(C)C1)C(=O)OC
InChIInChI=1S/C13H27N3O2/c1-14-12(13(17)18-4)7-9-16(3)11-6-5-8-15(2)10-11/h11-12,14H,5-10H2,1-4H3
InChIKeyFRANVKNJEVLOBJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.16
Rot. Bonds6

About methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate

methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate (PubChem CID 63054552) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate
PubChem CID63054552
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Namemethyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate
SMILESCNC(CCN(C)C1CCCN(C)C1)C(=O)OC
InChIInChI=1S/C13H27N3O2/c1-14-12(13(17)18-4)7-9-16(3)11-6-5-8-15(2)10-11/h11-12,14H,5-10H2,1-4H3
InChIKeyFRANVKNJEVLOBJ-UHFFFAOYSA-N
XLogP0.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butanoate
CID 63054708
methyl 2-amino-3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62545953
ethyl 3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62546082
2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]propanehydrazide
CID 63572438
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
2-amino-2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]butanamide
CID 62545950
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine
CID 115258466
4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol
CID 64787609
1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62619148
1-cyclopentyl-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 104745946
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(methylamino)butanoate
CID 78923975

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate?
The IUPAC name of methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate (CID 63054552) is methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate.
What is the SMILES notation for methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate?
The canonical SMILES for methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate is CNC(CCN(C)C1CCCN(C)C1)C(=O)OC.
What is the InChIKey of methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate?
The InChIKey is FRANVKNJEVLOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-14-12(13(17)18-4)7-9-16(3)11-6-5-8-15(2)10-11/h11-12,14H,5-10H2,1-4H3.
What are the key properties of methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate?
methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate has a molecular weight of 257.38 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-4-[methyl-(1-methylpiperidin-3-yl)amino]butanoate is sourced from PubChem (CID 63054552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).