4,4-diethoxy-1-methylpiperidin-3-amine

C10H22N2O2 — CID 11953520

IUPAC4,4-diethoxy-1-methylpiperidin-3-amine
SMILESCCOC1(OCC)CCN(C)CC1N
InChIInChI=1S/C10H22N2O2/c1-4-13-10(14-5-2)6-7-12(3)8-9(10)11/h9H,4-8,11H2,1-3H3
InChIKeyYNCRMJAIJFENAI-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.42
Rot. Bonds4

About 4,4-diethoxy-1-methylpiperidin-3-amine

4,4-diethoxy-1-methylpiperidin-3-amine (PubChem CID 11953520) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4,4-diethoxy-1-methylpiperidin-3-amine.

Molecular Properties

Compound Name4,4-diethoxy-1-methylpiperidin-3-amine
PubChem CID11953520
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name4,4-diethoxy-1-methylpiperidin-3-amine
SMILESCCOC1(OCC)CCN(C)CC1N
InChIInChI=1S/C10H22N2O2/c1-4-13-10(14-5-2)6-7-12(3)8-9(10)11/h9H,4-8,11H2,1-3H3
InChIKeyYNCRMJAIJFENAI-UHFFFAOYSA-N
XLogP0.42
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
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

(3R)-4,4-difluoro-1-methylpiperidin-3-amine
CID 170923047
1-(4-ethoxy-1-methylpiperidin-4-yl)ethanone
CID 83225181
2-(4-ethoxy-1-methylpiperidin-4-yl)ethanamine
CID 105442316
trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine
CID 102199308
1-(4-ethoxyoxan-4-yl)pyrrolidin-3-amine
CID 69399739
1-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65460030
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]ethanamine
CID 130138088
(1,4,4-trimethylpiperidin-3-yl)methanol
CID 117025806
5-ethoxy-2-methyl-2-azabicyclo[3.1.0]hexane
CID 118461704
N-[(1-aminocyclopropyl)methyl]-N,1-dimethylpyrrolidin-3-amine
CID 115256600
ethyl 2-(8-methyl-1-oxa-8-azaspiro[4.5]decan-3-yl)acetate
CID 123369581
diethyl 1-methylpiperidine-4,4-dicarboxylate
CID 121001338

Frequently Asked Questions

What is the IUPAC name of 4,4-diethoxy-1-methylpiperidin-3-amine?
The IUPAC name of 4,4-diethoxy-1-methylpiperidin-3-amine (CID 11953520) is 4,4-diethoxy-1-methylpiperidin-3-amine.
What is the SMILES notation for 4,4-diethoxy-1-methylpiperidin-3-amine?
The canonical SMILES for 4,4-diethoxy-1-methylpiperidin-3-amine is CCOC1(OCC)CCN(C)CC1N.
What is the InChIKey of 4,4-diethoxy-1-methylpiperidin-3-amine?
The InChIKey is YNCRMJAIJFENAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-13-10(14-5-2)6-7-12(3)8-9(10)11/h9H,4-8,11H2,1-3H3.
What are the key properties of 4,4-diethoxy-1-methylpiperidin-3-amine?
4,4-diethoxy-1-methylpiperidin-3-amine has a molecular weight of 202.30 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethoxy-1-methylpiperidin-3-amine is sourced from PubChem (CID 11953520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).