(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine

C11H20FNO — CID 177009232

IUPAC(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine
SMILESCCN1CC/C(=C\F)[C@](C)(COC)C1
InChIInChI=1S/C11H20FNO/c1-4-13-6-5-10(7-12)11(2,8-13)9-14-3/h7H,4-6,8-9H2,1-3H3/b10-7+/t11-/m0/s1
InChIKeyUJLVMLJEVRZQFF-HUYFXPKMSA-N
MW201.28 g/mol
LogP2.22
Rot. Bonds3

About (3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine

(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine (PubChem CID 177009232) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine.

Molecular Properties

Compound Name(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine
PubChem CID177009232
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine
SMILESCCN1CC/C(=C\F)[C@](C)(COC)C1
InChIInChI=1S/C11H20FNO/c1-4-13-6-5-10(7-12)11(2,8-13)9-14-3/h7H,4-6,8-9H2,1-3H3/b10-7+/t11-/m0/s1
InChIKeyUJLVMLJEVRZQFF-HUYFXPKMSA-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 (3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine?
The IUPAC name of (3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine (CID 177009232) is (3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine.
What is the SMILES notation for (3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine?
The canonical SMILES for (3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine is CCN1CC/C(=C\F)[C@](C)(COC)C1.
What is the InChIKey of (3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine?
The InChIKey is UJLVMLJEVRZQFF-HUYFXPKMSA-N. The full InChI is InChI=1S/C11H20FNO/c1-4-13-6-5-10(7-12)11(2,8-13)9-14-3/h7H,4-6,8-9H2,1-3H3/b10-7+/t11-/m0/s1.
What are the key properties of (3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine?
(3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine 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 (3S,4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)-3-methylpiperidine is sourced from PubChem (CID 177009232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).