(3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine

C9H19NO — CID 59170636

IUPAC(3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine
SMILESCOCC[C@H]1CNCC[C@@H]1C
InChIInChI=1S/C9H19NO/c1-8-3-5-10-7-9(8)4-6-11-2/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyXOXXILMDYAVLBB-IUCAKERBSA-N
MW157.26 g/mol
LogP1.27
Rot. Bonds3

About (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine

(3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine (PubChem CID 59170636) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine.

Molecular Properties

Compound Name(3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine
PubChem CID59170636
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine
SMILESCOCC[C@H]1CNCC[C@@H]1C
InChIInChI=1S/C9H19NO/c1-8-3-5-10-7-9(8)4-6-11-2/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyXOXXILMDYAVLBB-IUCAKERBSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine?
The IUPAC name of (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine (CID 59170636) is (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine.
What is the SMILES notation for (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine?
The canonical SMILES for (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine is COCC[C@H]1CNCC[C@@H]1C.
What is the InChIKey of (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine?
The InChIKey is XOXXILMDYAVLBB-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-8-3-5-10-7-9(8)4-6-11-2/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine?
(3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine has a molecular weight of 157.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine is sourced from PubChem (CID 59170636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).