methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate

C11H22N2O2 — CID 63241337

IUPACmethyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(CNC(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)12-7-10-5-4-6-13(8-10)11(14)15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyICAOBRUTGSRIKB-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.46
Rot. Bonds3

About methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate

methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate (PubChem CID 63241337) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
PubChem CID63241337
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(CNC(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)12-7-10-5-4-6-13(8-10)11(14)15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyICAOBRUTGSRIKB-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241729
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788
2,2-dimethyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241776
2-cyclopentyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241290
methyl 3-(iodomethyl)piperidine-1-carboxylate
CID 143863584
2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241326
2-methylpropyl 3-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 71270916
methyl 3-(2-aminopropyl)azepane-1-carboxylate
CID 112716648
3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63240826
tert-butyl 3-[[(4-methoxy-4-methylpentan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103700546

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate (CID 63241337) is methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate is COC(=O)N1CCCC(CNC(C)C)C1.
What is the InChIKey of methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate?
The InChIKey is ICAOBRUTGSRIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)12-7-10-5-4-6-13(8-10)11(14)15-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate?
methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 63241337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).