(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine

C10H18FNO — CID 177009560

IUPAC(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine
SMILESCCOCC1CN(C)CC/C1=C\F
InChIInChI=1S/C10H18FNO/c1-3-13-8-10-7-12(2)5-4-9(10)6-11/h6,10H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyBJZZCSBGDFSUAQ-RMKNXTFCSA-N
MW187.26 g/mol
LogP1.83
Rot. Bonds3

About (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine

(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine (PubChem CID 177009560) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine.

Molecular Properties

Compound Name(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine
PubChem CID177009560
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine
SMILESCCOCC1CN(C)CC/C1=C\F
InChIInChI=1S/C10H18FNO/c1-3-13-8-10-7-12(2)5-4-9(10)6-11/h6,10H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyBJZZCSBGDFSUAQ-RMKNXTFCSA-N
XLogP1.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-4-(2-ethoxyprop-2-enyl)-3-fluoro-1-methylpiperidine
CID 137535478
[(3S,4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 175525631
[(4E)-4-(fluoromethylidene)-1-methylpiperidin-3-yl]methanol
CID 175525633
(4E)-4-(fluoromethylidene)-1,3-dimethyl-3-(propan-2-yloxymethyl)piperidine
CID 176568100
(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine
CID 176568541
(3S,4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine
CID 176661082
(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine
CID 176926490
(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methyl-3-(propan-2-yloxymethyl)piperidine
CID 177009152
(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine
CID 177009232
(5E)-5-(fluoromethylidene)-8-methyl-2-oxa-8-azaspiro[3.5]nonane
CID 177009296
(3S,4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1,3-dimethylpiperidine
CID 177009678
(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-methyl-3-(prop-1-en-2-yloxymethyl)piperidine
CID 177009740

Frequently Asked Questions

What is the IUPAC name of (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine?
The IUPAC name of (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine (CID 177009560) is (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine.
What is the SMILES notation for (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine?
The canonical SMILES for (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine is CCOCC1CN(C)CC/C1=C\F.
What is the InChIKey of (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine?
The InChIKey is BJZZCSBGDFSUAQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18FNO/c1-3-13-8-10-7-12(2)5-4-9(10)6-11/h6,10H,3-5,7-8H2,1-2H3/b9-6+.
What are the key properties of (4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine?
(4E)-3-(ethoxymethyl)-4-(fluoromethylidene)-1-methylpiperidine has a molecular weight of 187.26 g/mol, XLogP of 1.83, 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-methylpiperidine is sourced from PubChem (CID 177009560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).