methyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate

C11H22N2O2 — CID 112714080

IUPACmethyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate
SMILESCNC(C)CC1CCN(C(=O)OC)CC1
InChIInChI=1S/C11H22N2O2/c1-9(12-2)8-10-4-6-13(7-5-10)11(14)15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyMEEGSAJKGVCFRL-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.46
Rot. Bonds3

About methyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate

methyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate (PubChem CID 112714080) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate
PubChem CID112714080
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate
SMILESCNC(C)CC1CCN(C(=O)OC)CC1
InChIInChI=1S/C11H22N2O2/c1-9(12-2)8-10-4-6-13(7-5-10)11(14)15-3/h9-10,12H,4-8H2,1-3H3
InChIKeyMEEGSAJKGVCFRL-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

ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424
methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate
CID 112714077
methyl 4-(2-oxoethyl)azepane-1-carboxylate
CID 83908232
methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
CID 83881160
methyl 3-(1-oxopropan-2-yl)pyrrolidine-1-carboxylate
CID 83906912
methyl 4-(2-methylsulfonylethyl)piperidine-1-carboxylate
CID 71165241
methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210
methyl 4-bromopiperidine-1-carboxylate
CID 174906499
1-[4-(1-cyclopropylpropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 115720109
methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate
CID 82511495
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate (CID 112714080) is methyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate is CNC(C)CC1CCN(C(=O)OC)CC1.
What is the InChIKey of methyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate?
The InChIKey is MEEGSAJKGVCFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(12-2)8-10-4-6-13(7-5-10)11(14)15-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of methyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate?
methyl 4-[2-(methylamino)propyl]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 4-[2-(methylamino)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 112714080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).