2,2-dimethoxyethanamine;piperidine-1-carboxylic acid

C10H22N2O4 — CID 69464165

IUPAC2,2-dimethoxyethanamine;piperidine-1-carboxylic acid
SMILESCOC(CN)OC.O=C(O)N1CCCCC1
InChIInChI=1S/C6H11NO2.C4H11NO2/c8-6(9)7-4-2-1-3-5-7;1-6-4(3-5)7-2/h1-5H2,(H,8,9);4H,3,5H2,1-2H3
InChIKeyQEKAHQFSRSTAAI-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.71
Rot. Bonds3

About 2,2-dimethoxyethanamine;piperidine-1-carboxylic acid

2,2-dimethoxyethanamine;piperidine-1-carboxylic acid (PubChem CID 69464165) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2,2-dimethoxyethanamine;piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethoxyethanamine;piperidine-1-carboxylic acid
PubChem CID69464165
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Name2,2-dimethoxyethanamine;piperidine-1-carboxylic acid
SMILESCOC(CN)OC.O=C(O)N1CCCCC1
InChIInChI=1S/C6H11NO2.C4H11NO2/c8-6(9)7-4-2-1-3-5-7;1-6-4(3-5)7-2/h1-5H2,(H,8,9);4H,3,5H2,1-2H3
InChIKeyQEKAHQFSRSTAAI-UHFFFAOYSA-N
XLogP0.71
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

iodomethane;piperidine-1-carboxylic acid
CID 159672368
oxalic acid;piperidine-1-carboxylic acid
CID 158853542
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one
CID 120594917
2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid
CID 153379158
(3R)-3-methoxy-1-piperidin-1-ylbutan-1-one
CID 165388208
methyl (2R)-3-amino-2-piperidin-1-ylpropanoate
CID 86664944
ethyl azacycloundecane-1-carboxylate
CID 67670496
N-[(2R)-1-aminopropan-2-yl]azepane-1-carboxamide
CID 96683108
N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
CID 79152627
ethyl 3-methyl-2-piperidin-1-ylbut-2-enoate
CID 14613354
methyl 2-methoxy-2-piperidin-1-ylacetate
CID 57327649

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethanamine;piperidine-1-carboxylic acid?
The IUPAC name of 2,2-dimethoxyethanamine;piperidine-1-carboxylic acid (CID 69464165) is 2,2-dimethoxyethanamine;piperidine-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethoxyethanamine;piperidine-1-carboxylic acid?
The canonical SMILES for 2,2-dimethoxyethanamine;piperidine-1-carboxylic acid is COC(CN)OC.O=C(O)N1CCCCC1.
What is the InChIKey of 2,2-dimethoxyethanamine;piperidine-1-carboxylic acid?
The InChIKey is QEKAHQFSRSTAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C4H11NO2/c8-6(9)7-4-2-1-3-5-7;1-6-4(3-5)7-2/h1-5H2,(H,8,9);4H,3,5H2,1-2H3.
What are the key properties of 2,2-dimethoxyethanamine;piperidine-1-carboxylic acid?
2,2-dimethoxyethanamine;piperidine-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethanamine;piperidine-1-carboxylic acid is sourced from PubChem (CID 69464165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).