(4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine

C11H20FN — CID 176568518

IUPAC(4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine
SMILESCC(C)C1(C)CN(C)CC/C1=C\F
InChIInChI=1S/C11H20FN/c1-9(2)11(3)8-13(4)6-5-10(11)7-12/h7,9H,5-6,8H2,1-4H3/b10-7+
InChIKeyVNMBCFLXFIGXEG-JXMROGBWSA-N
MW185.29 g/mol
LogP2.84
Rot. Bonds1

About (4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine

(4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine (PubChem CID 176568518) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name(4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine
PubChem CID176568518
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine
SMILESCC(C)C1(C)CN(C)CC/C1=C\F
InChIInChI=1S/C11H20FN/c1-9(2)11(3)8-13(4)6-5-10(11)7-12/h7,9H,5-6,8H2,1-4H3/b10-7+
InChIKeyVNMBCFLXFIGXEG-JXMROGBWSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1-(2,2-dimethylpropyl)-3-fluoro-3-prop-2-enylpiperidine
CID 135010029
4-Tert-butyl-1-(3,4,4-trifluorobut-3-enyl)piperidine
CID 58974891
1-(4-Fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 89140664
1-Ethyl-4-(1-fluoroethenyl)piperidine
CID 91012854
3-Fluoro-1-methyl-3-prop-2-enylpiperidine
CID 129044070
4-(5-Fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine
CID 134365582
1-(1,2-Difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine
CID 134531079
3-Fluoro-4-methyl-1-(3-methylidenepentyl)piperidine
CID 135273853
(3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine
CID 143775541
3-Ethenyl-1-ethyl-3-fluoro-4-propan-2-ylpiperidine
CID 154670049
10,10-Difluoro-3-methylidene-8-propyl-8-azaspiro[4.5]decane;ethane
CID 154670349
4-Prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 155742148

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine?
The IUPAC name of (4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine (CID 176568518) is (4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine.
What is the SMILES notation for (4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine?
The canonical SMILES for (4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine is CC(C)C1(C)CN(C)CC/C1=C\F.
What is the InChIKey of (4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine?
The InChIKey is VNMBCFLXFIGXEG-JXMROGBWSA-N. The full InChI is InChI=1S/C11H20FN/c1-9(2)11(3)8-13(4)6-5-10(11)7-12/h7,9H,5-6,8H2,1-4H3/b10-7+.
What are the key properties of (4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine?
(4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine has a molecular weight of 185.29 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine is sourced from PubChem (CID 176568518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).