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

C14H28N2O2 — CID 55100278

IUPACmethyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCC1CCCCN1C
InChIInChI=1S/C14H28N2O2/c1-11(2)9-13(14(17)18-4)15-10-12-7-5-6-8-16(12)3/h11-13,15H,5-10H2,1-4H3
InChIKeyODZFJQHYBWYPKO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds6

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

methyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate (PubChem CID 55100278) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate
PubChem CID55100278
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate
SMILESCOC(=O)C(CC(C)C)NCC1CCCCN1C
InChIInChI=1S/C14H28N2O2/c1-11(2)9-13(14(17)18-4)15-10-12-7-5-6-8-16(12)3/h11-13,15H,5-10H2,1-4H3
InChIKeyODZFJQHYBWYPKO-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate
CID 106024172
methyl (2S)-3-methyl-2-[(1-methylpiperidin-2-yl)methylamino]butanoate
CID 55099753
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate
CID 106020086
methyl 2-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]butanoate
CID 106020245
methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate
CID 83982223
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
methyl 4-methyl-2-(pyrrolidin-2-ylmethylamino)pentanoate
CID 14048585
methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate
CID 16682389
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate
CID 114283759
N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide
CID 107027013
6-methyl-N-[(1-methylpiperidin-2-yl)methyl]heptan-2-amine
CID 62655246
methyl 4-methyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]pentanoate
CID 60693583

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate (CID 55100278) is methyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate is COC(=O)C(CC(C)C)NCC1CCCCN1C.
What is the InChIKey of methyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate?
The InChIKey is ODZFJQHYBWYPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)9-13(14(17)18-4)15-10-12-7-5-6-8-16(12)3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of methyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate?
methyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate is sourced from PubChem (CID 55100278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).