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

C9H16FNO — CID 177009562

IUPAC(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine
SMILESCOCC1CN(C)CC/C1=C\F
InChIInChI=1S/C9H16FNO/c1-11-4-3-8(5-10)9(6-11)7-12-2/h5,9H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyKIRKCICJINSJHU-VMPITWQZSA-N
MW173.23 g/mol
LogP1.44
Rot. Bonds2

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

(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine (PubChem CID 177009562) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine.

Molecular Properties

Compound Name(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine
PubChem CID177009562
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine
SMILESCOCC1CN(C)CC/C1=C\F
InChIInChI=1S/C9H16FNO/c1-11-4-3-8(5-10)9(6-11)7-12-2/h5,9H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyKIRKCICJINSJHU-VMPITWQZSA-N
XLogP1.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine?
The IUPAC name of (4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine (CID 177009562) is (4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine.
What is the SMILES notation for (4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine?
The canonical SMILES for (4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine is COCC1CN(C)CC/C1=C\F.
What is the InChIKey of (4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine?
The InChIKey is KIRKCICJINSJHU-VMPITWQZSA-N. The full InChI is InChI=1S/C9H16FNO/c1-11-4-3-8(5-10)9(6-11)7-12-2/h5,9H,3-4,6-7H2,1-2H3/b8-5+.
What are the key properties of (4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine?
(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine has a molecular weight of 173.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1-methylpiperidine is sourced from PubChem (CID 177009562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).