methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate

C10H20N2O3 — CID 83990097

IUPACmethyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate
SMILESCNC1CC(C(=O)OC)CN(CCO)C1
InChIInChI=1S/C10H20N2O3/c1-11-9-5-8(10(14)15-2)6-12(7-9)3-4-13/h8-9,11,13H,3-7H2,1-2H3
InChIKeyIQYWIUYZRSYNOI-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.94
Rot. Bonds4

About methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate

methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate (PubChem CID 83990097) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate
PubChem CID83990097
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate
SMILESCNC1CC(C(=O)OC)CN(CCO)C1
InChIInChI=1S/C10H20N2O3/c1-11-9-5-8(10(14)15-2)6-12(7-9)3-4-13/h8-9,11,13H,3-7H2,1-2H3
InChIKeyIQYWIUYZRSYNOI-UHFFFAOYSA-N
XLogP-0.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate
CID 83990119
methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994797
methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate
CID 83995596
methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
CID 83992828
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
1-(2-carboxyethyl)-5-(methylamino)piperidine-3-carboxylic acid
CID 83990009
1-[1-(2-hydroxyethyl)-5-(methylamino)piperidin-3-yl]propan-1-ol
CID 83990104
1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid
CID 83990036
2-[3-(2,2-dimethylpropylamino)-5-methoxycarbonylpiperidin-1-yl]acetic acid
CID 83995389
cis-methyl (1S,3R)-3-(methylamino)cyclopentane-1-carboxylate
CID 90378778
methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate
CID 112543460
methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83994928

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate (CID 83990097) is methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate is CNC1CC(C(=O)OC)CN(CCO)C1.
What is the InChIKey of methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate?
The InChIKey is IQYWIUYZRSYNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-11-9-5-8(10(14)15-2)6-12(7-9)3-4-13/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate?
methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate has a molecular weight of 216.28 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate is sourced from PubChem (CID 83990097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).