(4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium

C9H20NO+ — CID 140611921

IUPAC(4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium
SMILESCCO[C@@H]1CC[NH2+]CC1(C)C
InChIInChI=1S/C9H19NO/c1-4-11-8-5-6-10-7-9(8,2)3/h8,10H,4-7H2,1-3H3/p+1/t8-/m1/s1
InChIKeyOZASUIICEWISRM-MRVPVSSYSA-O
MW158.26 g/mol
LogP0.38
Rot. Bonds2

About (4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium

(4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium (PubChem CID 140611921) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is (4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium.

Molecular Properties

Compound Name(4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium
PubChem CID140611921
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name(4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium
SMILESCCO[C@@H]1CC[NH2+]CC1(C)C
InChIInChI=1S/C9H19NO/c1-4-11-8-5-6-10-7-9(8,2)3/h8,10H,4-7H2,1-3H3/p+1/t8-/m1/s1
InChIKeyOZASUIICEWISRM-MRVPVSSYSA-O
XLogP0.38
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium?
The IUPAC name of (4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium (CID 140611921) is (4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium.
What is the SMILES notation for (4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium?
The canonical SMILES for (4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium is CCO[C@@H]1CC[NH2+]CC1(C)C.
What is the InChIKey of (4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium?
The InChIKey is OZASUIICEWISRM-MRVPVSSYSA-O. The full InChI is InChI=1S/C9H19NO/c1-4-11-8-5-6-10-7-9(8,2)3/h8,10H,4-7H2,1-3H3/p+1/t8-/m1/s1.
What are the key properties of (4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium?
(4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium has a molecular weight of 158.26 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethoxy-3,3-dimethylpiperidin-1-ium is sourced from PubChem (CID 140611921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).