methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate

C11H22N2O2 — CID 112714077

IUPACmethyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate
SMILESCNC(C)CC1CCCCN1C(=O)OC
InChIInChI=1S/C11H22N2O2/c1-9(12-2)8-10-6-4-5-7-13(10)11(14)15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyNHBLYSLWQBLCGC-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.61
Rot. Bonds3

About methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate

methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate (PubChem CID 112714077) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate
PubChem CID112714077
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate
SMILESCNC(C)CC1CCCCN1C(=O)OC
InChIInChI=1S/C11H22N2O2/c1-9(12-2)8-10-6-4-5-7-13(10)11(14)15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyNHBLYSLWQBLCGC-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
CID 103723958
tert-butyl 2-[2-(1-methoxypropan-2-ylamino)propyl]azepane-1-carboxylate
CID 103724545
tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
CID 103723941
methyl 2-(2-hydrazinylethyl)piperidine-1-carboxylate
CID 84670171
methyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 11062814
tert-butyl 2-[2-(but-3-yn-2-ylamino)propyl]piperidine-1-carboxylate
CID 114415063
tert-butyl 2-[2-(2,2,2-trifluoroethylamino)propyl]piperidine-1-carboxylate
CID 103723920
methyl 2-(2-hydrazinylethyl)azepane-1-carboxylate
CID 84681171
methyl (2S)-2-(2-oxopentyl)piperidine-1-carboxylate
CID 10513498
tert-butyl 2-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propyl]piperidine-1-carboxylate
CID 106187174
tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate
CID 103879002

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate (CID 112714077) is methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate is CNC(C)CC1CCCCN1C(=O)OC.
What is the InChIKey of methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate?
The InChIKey is NHBLYSLWQBLCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(12-2)8-10-6-4-5-7-13(10)11(14)15-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate?
methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 112714077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).