(3R)-3-(2-methoxyethoxy)-1-methylpiperidine

C9H19NO2 — CID 59007577

IUPAC(3R)-3-(2-methoxyethoxy)-1-methylpiperidine
SMILESCOCCO[C@@H]1CCCN(C)C1
InChIInChI=1S/C9H19NO2/c1-10-5-3-4-9(8-10)12-7-6-11-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyQXANVCKEKQJTRB-SECBINFHSA-N
MW173.26 g/mol
LogP0.74
Rot. Bonds4

About (3R)-3-(2-methoxyethoxy)-1-methylpiperidine

(3R)-3-(2-methoxyethoxy)-1-methylpiperidine (PubChem CID 59007577) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (3R)-3-(2-methoxyethoxy)-1-methylpiperidine.

Molecular Properties

Compound Name(3R)-3-(2-methoxyethoxy)-1-methylpiperidine
PubChem CID59007577
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(3R)-3-(2-methoxyethoxy)-1-methylpiperidine
SMILESCOCCO[C@@H]1CCCN(C)C1
InChIInChI=1S/C9H19NO2/c1-10-5-3-4-9(8-10)12-7-6-11-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyQXANVCKEKQJTRB-SECBINFHSA-N
XLogP0.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methoxyethoxy)-1-methylpiperidine?
The IUPAC name of (3R)-3-(2-methoxyethoxy)-1-methylpiperidine (CID 59007577) is (3R)-3-(2-methoxyethoxy)-1-methylpiperidine.
What is the SMILES notation for (3R)-3-(2-methoxyethoxy)-1-methylpiperidine?
The canonical SMILES for (3R)-3-(2-methoxyethoxy)-1-methylpiperidine is COCCO[C@@H]1CCCN(C)C1.
What is the InChIKey of (3R)-3-(2-methoxyethoxy)-1-methylpiperidine?
The InChIKey is QXANVCKEKQJTRB-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO2/c1-10-5-3-4-9(8-10)12-7-6-11-2/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-3-(2-methoxyethoxy)-1-methylpiperidine?
(3R)-3-(2-methoxyethoxy)-1-methylpiperidine has a molecular weight of 173.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methoxyethoxy)-1-methylpiperidine is sourced from PubChem (CID 59007577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).