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

C14H28N2O2 — CID 116960489

IUPACmethyl 3-methyl-2-[methylamino-(1-methylpiperidin-4-yl)methyl]butanoate
SMILESCNC(C1CCN(C)CC1)C(C(=O)OC)C(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)12(14(17)18-5)13(15-3)11-6-8-16(4)9-7-11/h10-13,15H,6-9H2,1-5H3
InChIKeyCIMVAEYOXBVBMM-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.36
Rot. Bonds5

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

methyl 3-methyl-2-[methylamino-(1-methylpiperidin-4-yl)methyl]butanoate (PubChem CID 116960489) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 3-methyl-2-[methylamino-(1-methylpiperidin-4-yl)methyl]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[methylamino-(1-methylpiperidin-4-yl)methyl]butanoate
PubChem CID116960489
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 3-methyl-2-[methylamino-(1-methylpiperidin-4-yl)methyl]butanoate
SMILESCNC(C1CCN(C)CC1)C(C(=O)OC)C(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)12(14(17)18-5)13(15-3)11-6-8-16(4)9-7-11/h10-13,15H,6-9H2,1-5H3
InChIKeyCIMVAEYOXBVBMM-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[amino-(1-methylpyrrolidin-3-yl)methyl]-3-methylbutanoate
CID 116946118
1-(methylamino)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 116859527
methyl 2-[dimethylamino-(1-methylpyrrolidin-3-yl)methyl]-3-methylbutanoate
CID 116913656
2,3-bis(methylamino)-3-(1-methylpiperidin-4-yl)propanoic acid
CID 116961141
3-methyl-4-(methylamino)-4-(1-methylpiperidin-4-yl)butanoic acid
CID 116953519
methyl 2-amino-3-fluoro-3-(1-methylpiperidin-4-yl)propanoate
CID 105472579
2-[methylamino-(1-methylpiperidin-4-yl)methyl]butan-1-ol
CID 116959958
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
1-(1-methylpiperidin-4-yl)ethylurea
CID 126990260
methyl 2-[dimethylamino-(1-methylpiperidin-4-yl)methyl]butanoate
CID 116913623
methyl 2-(aminomethyl)-3-(1-methylpiperidin-4-yl)propanoate
CID 112709329
methyl 2-[cyclohexyl(methylamino)methyl]butanoate
CID 116960442

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[methylamino-(1-methylpiperidin-4-yl)methyl]butanoate?
The IUPAC name of methyl 3-methyl-2-[methylamino-(1-methylpiperidin-4-yl)methyl]butanoate (CID 116960489) is methyl 3-methyl-2-[methylamino-(1-methylpiperidin-4-yl)methyl]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[methylamino-(1-methylpiperidin-4-yl)methyl]butanoate?
The canonical SMILES for methyl 3-methyl-2-[methylamino-(1-methylpiperidin-4-yl)methyl]butanoate is CNC(C1CCN(C)CC1)C(C(=O)OC)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[methylamino-(1-methylpiperidin-4-yl)methyl]butanoate?
The InChIKey is CIMVAEYOXBVBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)12(14(17)18-5)13(15-3)11-6-8-16(4)9-7-11/h10-13,15H,6-9H2,1-5H3.
What are the key properties of methyl 3-methyl-2-[methylamino-(1-methylpiperidin-4-yl)methyl]butanoate?
methyl 3-methyl-2-[methylamino-(1-methylpiperidin-4-yl)methyl]butanoate has a molecular weight of 256.39 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[methylamino-(1-methylpiperidin-4-yl)methyl]butanoate is sourced from PubChem (CID 116960489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).