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

C12H27NO — CID 162148696

IUPAC(3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine;propane
SMILESCCC.COCC[C@H]1CNCC[C@@H]1C
InChIInChI=1S/C9H19NO.C3H8/c1-8-3-5-10-7-9(8)4-6-11-2;1-3-2/h8-10H,3-7H2,1-2H3;3H2,1-2H3/t8-,9-;/m0./s1
InChIKeyZKXGDHRTAMUZLG-OZZZDHQUSA-N
MW201.35 g/mol
LogP2.68
Rot. Bonds3

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

(3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine;propane (PubChem CID 162148696) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine;propane.

Molecular Properties

Compound Name(3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine;propane
PubChem CID162148696
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name(3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine;propane
SMILESCCC.COCC[C@H]1CNCC[C@@H]1C
InChIInChI=1S/C9H19NO.C3H8/c1-8-3-5-10-7-9(8)4-6-11-2;1-3-2/h8-10H,3-7H2,1-2H3;3H2,1-2H3/t8-,9-;/m0./s1
InChIKeyZKXGDHRTAMUZLG-OZZZDHQUSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.68
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;propane?
The IUPAC name of (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine;propane (CID 162148696) is (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine;propane.
What is the SMILES notation for (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine;propane?
The canonical SMILES for (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine;propane is CCC.COCC[C@H]1CNCC[C@@H]1C.
What is the InChIKey of (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine;propane?
The InChIKey is ZKXGDHRTAMUZLG-OZZZDHQUSA-N. The full InChI is InChI=1S/C9H19NO.C3H8/c1-8-3-5-10-7-9(8)4-6-11-2;1-3-2/h8-10H,3-7H2,1-2H3;3H2,1-2H3/t8-,9-;/m0./s1.
What are the key properties of (3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine;propane?
(3R,4S)-3-(2-methoxyethyl)-4-methylpiperidine;propane has a molecular weight of 201.35 g/mol, XLogP of 2.68, 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;propane is sourced from PubChem (CID 162148696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).