(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine

C11H20FNO — CID 176926490

IUPAC(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine
SMILESCCOCC1(C)CN(C)CC/C1=C\F
InChIInChI=1S/C11H20FNO/c1-4-14-9-11(2)8-13(3)6-5-10(11)7-12/h7H,4-6,8-9H2,1-3H3/b10-7+
InChIKeySMDJNGWZHRMWNO-JXMROGBWSA-N
MW201.28 g/mol
LogP2.22
Rot. Bonds3

About (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine

(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine (PubChem CID 176926490) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine.

Molecular Properties

Compound Name(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine
PubChem CID176926490
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine
SMILESCCOCC1(C)CN(C)CC/C1=C\F
InChIInChI=1S/C11H20FNO/c1-4-14-9-11(2)8-13(3)6-5-10(11)7-12/h7H,4-6,8-9H2,1-3H3/b10-7+
InChIKeySMDJNGWZHRMWNO-JXMROGBWSA-N
XLogP2.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 170959093
[(4E)-3-ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 171478959
[(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol
CID 171479032
[(3S,4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 171479033
[(4E)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 174208146
[4-(Fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 174208477
[3-Ethyl-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 175554839
[(4E)-1-ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol
CID 175554849
[1-Ethyl-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol
CID 175554851
[(4Z)-4-(fluoromethylidene)-1,3-dimethylpiperidin-3-yl]methanol
CID 175554869
[(4E)-1-(cyclopropylmethyl)-4-(fluoromethylidene)-3-methylpiperidin-3-yl]methanol
CID 176377810
(4E)-4-(fluoromethylidene)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine
CID 176568100

Frequently Asked Questions

What is the IUPAC name of (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine?
The IUPAC name of (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine (CID 176926490) is (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine.
What is the SMILES notation for (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine?
The canonical SMILES for (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine is CCOCC1(C)CN(C)CC/C1=C\F.
What is the InChIKey of (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine?
The InChIKey is SMDJNGWZHRMWNO-JXMROGBWSA-N. The full InChI is InChI=1S/C11H20FNO/c1-4-14-9-11(2)8-13(3)6-5-10(11)7-12/h7H,4-6,8-9H2,1-3H3/b10-7+.
What are the key properties of (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine?
(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine has a molecular weight of 201.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine is sourced from PubChem (CID 176926490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).