methyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate

C11H22N2O2 — CID 115533667

IUPACmethyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CC(C)CN
InChIInChI=1S/C11H22N2O2/c1-9(7-12)8-13-6-4-3-5-10(13)11(14)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyQFBNZSLWZSUNQB-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds4

About methyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate

methyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate (PubChem CID 115533667) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate
PubChem CID115533667
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CC(C)CN
InChIInChI=1S/C11H22N2O2/c1-9(7-12)8-13-6-4-3-5-10(13)11(14)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyQFBNZSLWZSUNQB-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 (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
ethyl 1-[2-methyl-3-(propylamino)propyl]piperidine-2-carboxylate
CID 115539031
ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate
CID 115538768
ethyl 1-(3-amino-2-ethoxypropyl)piperidine-2-carboxylate
CID 115538704
methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate
CID 15879442
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate
CID 78927348
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate
CID 115280662
methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 115371331
1-[1-(2-methylbutyl)piperidin-2-yl]ethanone
CID 63846542
methyl (2R)-1-aminopiperidine-2-carboxylate
CID 90433668
methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
CID 79833648

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate (CID 115533667) is methyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1CC(C)CN.
What is the InChIKey of methyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate?
The InChIKey is QFBNZSLWZSUNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(7-12)8-13-6-4-3-5-10(13)11(14)15-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of methyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate?
methyl 1-(3-amino-2-methylpropyl)piperidine-2-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-(3-amino-2-methylpropyl)piperidine-2-carboxylate is sourced from PubChem (CID 115533667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).