(E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol

C11H21NO2 — CID 141254532

IUPAC(E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol
SMILESCOC1C(C)CNC(/C=C/CO)C1C
InChIInChI=1S/C11H21NO2/c1-8-7-12-10(5-4-6-13)9(2)11(8)14-3/h4-5,8-13H,6-7H2,1-3H3/b5-4+
InChIKeyITTIFKANFGEWLJ-SNAWJCMRSA-N
MW199.29 g/mol
LogP0.79
Rot. Bonds3

About (E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol

(E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol (PubChem CID 141254532) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol
PubChem CID141254532
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol
SMILESCOC1C(C)CNC(/C=C/CO)C1C
InChIInChI=1S/C11H21NO2/c1-8-7-12-10(5-4-6-13)9(2)11(8)14-3/h4-5,8-13H,6-7H2,1-3H3/b5-4+
InChIKeyITTIFKANFGEWLJ-SNAWJCMRSA-N
XLogP0.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol (CID 141254532) is (E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol is COC1C(C)CNC(/C=C/CO)C1C.
What is the InChIKey of (E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol?
The InChIKey is ITTIFKANFGEWLJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-7-12-10(5-4-6-13)9(2)11(8)14-3/h4-5,8-13H,6-7H2,1-3H3/b5-4+.
What are the key properties of (E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol?
(E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol has a molecular weight of 199.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxy-3,5-dimethylpiperidin-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 141254532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).