(3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine

C10H18FN — CID 178181826

IUPAC(3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine
SMILESCC[C@]1(C)CN(C)CC/C1=C\F
InChIInChI=1S/C10H18FN/c1-4-10(2)8-12(3)6-5-9(10)7-11/h7H,4-6,8H2,1-3H3/b9-7+/t10-/m1/s1
InChIKeyKBMBRQBTDUYMLB-TTZKWOQHSA-N
MW171.26 g/mol
LogP2.59
Rot. Bonds1

About (3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine

(3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine (PubChem CID 178181826) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine.

Molecular Properties

Compound Name(3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine
PubChem CID178181826
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine
SMILESCC[C@]1(C)CN(C)CC/C1=C\F
InChIInChI=1S/C10H18FN/c1-4-10(2)8-12(3)6-5-9(10)7-11/h7H,4-6,8H2,1-3H3/b9-7+/t10-/m1/s1
InChIKeyKBMBRQBTDUYMLB-TTZKWOQHSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.59
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)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine?
The IUPAC name of (3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine (CID 178181826) is (3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine.
What is the SMILES notation for (3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine?
The canonical SMILES for (3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine is CC[C@]1(C)CN(C)CC/C1=C\F.
What is the InChIKey of (3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine?
The InChIKey is KBMBRQBTDUYMLB-TTZKWOQHSA-N. The full InChI is InChI=1S/C10H18FN/c1-4-10(2)8-12(3)6-5-9(10)7-11/h7H,4-6,8H2,1-3H3/b9-7+/t10-/m1/s1.
What are the key properties of (3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine?
(3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine has a molecular weight of 171.26 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4E)-3-ethyl-4-(fluoromethylidene)-1,3-dimethylpiperidine is sourced from PubChem (CID 178181826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).