2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine

C10H22N2O2 — CID 80555810

IUPAC2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine
SMILESCOC(CNCC1CCCNC1)OC
InChIInChI=1S/C10H22N2O2/c1-13-10(14-2)8-12-7-9-4-3-5-11-6-9/h9-12H,3-8H2,1-2H3
InChIKeyPAFZPUZITABYTB-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.19
Rot. Bonds6

About 2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine

2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 80555810) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID80555810
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine
SMILESCOC(CNCC1CCCNC1)OC
InChIInChI=1S/C10H22N2O2/c1-13-10(14-2)8-12-7-9-4-3-5-11-6-9/h9-12H,3-8H2,1-2H3
InChIKeyPAFZPUZITABYTB-UHFFFAOYSA-N
XLogP0.19
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.19
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of 2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine (CID 80555810) is 2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine is COC(CNCC1CCCNC1)OC.
What is the InChIKey of 2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is PAFZPUZITABYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-13-10(14-2)8-12-7-9-4-3-5-11-6-9/h9-12H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine?
2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 202.30 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 80555810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).