(4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine

C10H18FNO — CID 177009741

IUPAC(4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine
SMILESCCN1CC/C(=C\F)C(COC)C1
InChIInChI=1S/C10H18FNO/c1-3-12-5-4-9(6-11)10(7-12)8-13-2/h6,10H,3-5,7-8H2,1-2H3/b9-6+
InChIKeySTLHRXWDYBXVNM-RMKNXTFCSA-N
MW187.26 g/mol
LogP1.83
Rot. Bonds3

About (4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine

(4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine (PubChem CID 177009741) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine.

Molecular Properties

Compound Name(4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine
PubChem CID177009741
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine
SMILESCCN1CC/C(=C\F)C(COC)C1
InChIInChI=1S/C10H18FNO/c1-3-12-5-4-9(6-11)10(7-12)8-13-2/h6,10H,3-5,7-8H2,1-2H3/b9-6+
InChIKeySTLHRXWDYBXVNM-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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Frequently Asked Questions

What is the IUPAC name of (4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine?
The IUPAC name of (4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine (CID 177009741) is (4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine.
What is the SMILES notation for (4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine?
The canonical SMILES for (4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine is CCN1CC/C(=C\F)C(COC)C1.
What is the InChIKey of (4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine?
The InChIKey is STLHRXWDYBXVNM-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H18FNO/c1-3-12-5-4-9(6-11)10(7-12)8-13-2/h6,10H,3-5,7-8H2,1-2H3/b9-6+.
What are the key properties of (4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine?
(4E)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine 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)-1-ethyl-4-(fluoromethylidene)-3-(methoxymethyl)piperidine is sourced from PubChem (CID 177009741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).