(3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine

C11H20FN — CID 178101835

IUPAC(3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine
SMILESCCN1CC/C(=C\F)[C@](C)(CC)C1
InChIInChI=1S/C11H20FN/c1-4-11(3)9-13(5-2)7-6-10(11)8-12/h8H,4-7,9H2,1-3H3/b10-8+/t11-/m1/s1
InChIKeyPJXHYCHRWJRKCS-RJCSOLBVSA-N
MW185.29 g/mol
LogP2.98
Rot. Bonds2

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

(3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine (PubChem CID 178101835) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine.

Molecular Properties

Compound Name(3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine
PubChem CID178101835
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine
SMILESCCN1CC/C(=C\F)[C@](C)(CC)C1
InChIInChI=1S/C11H20FN/c1-4-11(3)9-13(5-2)7-6-10(11)8-12/h8H,4-7,9H2,1-3H3/b10-8+/t11-/m1/s1
InChIKeyPJXHYCHRWJRKCS-RJCSOLBVSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.98
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
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
3-Fluoro-4-methyl-1-(3-methylidenepentyl)piperidine
CID 135273853
(3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine
CID 143775541
1-[3-Fluoro-2-(1-fluoroethenyl)-2-methylpent-4-enyl]piperidine
CID 144347486
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
1-(2-Ethylbutyl)-4-fluoro-4-prop-1-en-2-ylpiperidine
CID 156518936
(4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine
CID 166970164

Frequently Asked Questions

What is the IUPAC name of (3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine?
The IUPAC name of (3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine (CID 178101835) is (3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine.
What is the SMILES notation for (3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine?
The canonical SMILES for (3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine is CCN1CC/C(=C\F)[C@](C)(CC)C1.
What is the InChIKey of (3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine?
The InChIKey is PJXHYCHRWJRKCS-RJCSOLBVSA-N. The full InChI is InChI=1S/C11H20FN/c1-4-11(3)9-13(5-2)7-6-10(11)8-12/h8H,4-7,9H2,1-3H3/b10-8+/t11-/m1/s1.
What are the key properties of (3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine?
(3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine has a molecular weight of 185.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine is sourced from PubChem (CID 178101835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).