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

C11H22N2O2 — CID 43378007

IUPACmethyl 4-[(1-methylpiperidin-4-yl)amino]butanoate
SMILESCOC(=O)CCCNC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-13-8-5-10(6-9-13)12-7-3-4-11(14)15-2/h10,12H,3-9H2,1-2H3
InChIKeyWIDUOEVDQNEQSJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds5

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

methyl 4-[(1-methylpiperidin-4-yl)amino]butanoate (PubChem CID 43378007) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 4-[(1-methylpiperidin-4-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(1-methylpiperidin-4-yl)amino]butanoate
PubChem CID43378007
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 4-[(1-methylpiperidin-4-yl)amino]butanoate
SMILESCOC(=O)CCCNC1CCN(C)CC1
InChIInChI=1S/C11H22N2O2/c1-13-8-5-10(6-9-13)12-7-3-4-11(14)15-2/h10,12H,3-9H2,1-2H3
InChIKeyWIDUOEVDQNEQSJ-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl 4-(2-methylpiperidin-1-yl)butanoate--hydrogen chloride (1/1)
CID 44855
Methyl 3-(4-aminopiperidin-1-yl)propanoate
CID 18969347
Methyl 1-(3-aminopropyl)piperidine-4-carboxylate
CID 39870355
Methyl 4-(piperazin-1-yl)butanoate
CID 43377669
Methyl 1-(azepan-4-yl)-4-fluoropiperidine-4-carboxylate
CID 123986152
Methyl 2-amino-4-(3,3-difluoropiperidin-1-yl)butanoate
CID 175000792
Methyl 4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 60782427
Methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate
CID 63382675
Ethyl 4-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 64577955
Ethyl 4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]butanoate
CID 136574565
Methyl 4-(cyclohexylamino)butanoate--hydrogen chloride (1/1)
CID 13816358
Methyl 4-(cyclohexylamino)butanoate
CID 431609

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methylpiperidin-4-yl)amino]butanoate?
The IUPAC name of methyl 4-[(1-methylpiperidin-4-yl)amino]butanoate (CID 43378007) is methyl 4-[(1-methylpiperidin-4-yl)amino]butanoate.
What is the SMILES notation for methyl 4-[(1-methylpiperidin-4-yl)amino]butanoate?
The canonical SMILES for methyl 4-[(1-methylpiperidin-4-yl)amino]butanoate is COC(=O)CCCNC1CCN(C)CC1.
What is the InChIKey of methyl 4-[(1-methylpiperidin-4-yl)amino]butanoate?
The InChIKey is WIDUOEVDQNEQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-13-8-5-10(6-9-13)12-7-3-4-11(14)15-2/h10,12H,3-9H2,1-2H3.
What are the key properties of methyl 4-[(1-methylpiperidin-4-yl)amino]butanoate?
methyl 4-[(1-methylpiperidin-4-yl)amino]butanoate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methylpiperidin-4-yl)amino]butanoate is sourced from PubChem (CID 43378007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).