ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine

C12H24FNO — CID 176927642

IUPACethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine
SMILESCC.COCC1(C)CN(C)CC/C1=C\F
InChIInChI=1S/C10H18FNO.C2H6/c1-10(8-13-3)7-12(2)5-4-9(10)6-11;1-2/h6H,4-5,7-8H2,1-3H3;1-2H3/b9-6+;
InChIKeyJWLOMRUUXRKKQW-MLBSPLJJSA-N
MW217.33 g/mol
LogP2.85
Rot. Bonds2

About ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine

ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine (PubChem CID 176927642) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine.

Molecular Properties

Compound Nameethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine
PubChem CID176927642
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Nameethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine
SMILESCC.COCC1(C)CN(C)CC/C1=C\F
InChIInChI=1S/C10H18FNO.C2H6/c1-10(8-13-3)7-12(2)5-4-9(10)6-11;1-2/h6H,4-5,7-8H2,1-3H3;1-2H3/b9-6+;
InChIKeyJWLOMRUUXRKKQW-MLBSPLJJSA-N
XLogP2.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.85
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 ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine?
The IUPAC name of ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine (CID 176927642) is ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine.
What is the SMILES notation for ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine?
The canonical SMILES for ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine is CC.COCC1(C)CN(C)CC/C1=C\F.
What is the InChIKey of ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine?
The InChIKey is JWLOMRUUXRKKQW-MLBSPLJJSA-N. The full InChI is InChI=1S/C10H18FNO.C2H6/c1-10(8-13-3)7-12(2)5-4-9(10)6-11;1-2/h6H,4-5,7-8H2,1-3H3;1-2H3/b9-6+;.
What are the key properties of ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine?
ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine has a molecular weight of 217.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-4-(fluoromethylidene)-3-(methoxymethyl)-1,3-dimethylpiperidine is sourced from PubChem (CID 176927642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).