methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate

C11H22N2O2 — CID 63382676

IUPACmethyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(C)CCN)CC1
InChIInChI=1S/C11H22N2O2/c1-9(3-6-12)13-7-4-10(5-8-13)11(14)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyRIQAILORHVKTER-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds4

About methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate

methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate (PubChem CID 63382676) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate
PubChem CID63382676
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(C)CCN)CC1
InChIInChI=1S/C11H22N2O2/c1-9(3-6-12)13-7-4-10(5-8-13)11(14)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyRIQAILORHVKTER-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate
CID 63382675
methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate
CID 63382677
methyl 4-(4-aminobutan-2-yl)morpholine-2-carboxylate
CID 115533856
3-[4-(methoxymethyl)piperidin-1-yl]butan-1-amine
CID 63971694
ethyl 1-butan-2-ylpiperidine-4-carboxylate
CID 62027270
methyl 1-(1-cyanoethyl)piperidine-4-carboxylate
CID 60644934
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
CID 60638892
methyl 1-(5-aminopentyl)piperidine-4-carboxylate
CID 63382770
1-(4-aminobutan-2-yl)-N,N-dimethylpiperidin-4-amine
CID 60915047
methyl 1-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8754673
methyl 1-(4-methylpentyl)piperidine-4-carboxylate
CID 83161732
ethyl 1-(1-methoxy-1-oxopropan-2-yl)piperidine-4-carboxylate
CID 47016252

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate (CID 63382676) is methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate is COC(=O)C1CCN(C(C)CCN)CC1.
What is the InChIKey of methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate?
The InChIKey is RIQAILORHVKTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(3-6-12)13-7-4-10(5-8-13)11(14)15-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate?
methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-aminobutan-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 63382676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).