methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate

C10H20N2O2 — CID 83880752

IUPACmethyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate
SMILESCNC(C)C1CCCN(C(=O)OC)C1
InChIInChI=1S/C10H20N2O2/c1-8(11-2)9-5-4-6-12(7-9)10(13)14-3/h8-9,11H,4-7H2,1-3H3
InChIKeySHIZQLGINYKKDS-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.07
Rot. Bonds2

About methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate

methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate (PubChem CID 83880752) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate
PubChem CID83880752
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate
SMILESCNC(C)C1CCCN(C(=O)OC)C1
InChIInChI=1S/C10H20N2O2/c1-8(11-2)9-5-4-6-12(7-9)10(13)14-3/h8-9,11H,4-7H2,1-3H3
InChIKeySHIZQLGINYKKDS-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
methyl 3-butan-2-ylpiperidine-1-carboxylate
CID 171824675
tert-butyl 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 63854094
tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate
CID 82710558
methyl 3-(2-amino-1-hydroxyethyl)azepane-1-carboxylate
CID 115006437
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl 3-[1-[(3-aminocyclopentyl)amino]ethyl]piperidine-1-carboxylate
CID 107247337
methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 63241337
N-cyclopropyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63854794
methyl 3-acetylpiperidine-1-carboxylate
CID 59841149
tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate?
The IUPAC name of methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate (CID 83880752) is methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate is CNC(C)C1CCCN(C(=O)OC)C1.
What is the InChIKey of methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate?
The InChIKey is SHIZQLGINYKKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(11-2)9-5-4-6-12(7-9)10(13)14-3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate?
methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(methylamino)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 83880752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).