(3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine

C12H20FN — CID 178101758

IUPAC(3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine
SMILESCC[C@]1(C)CN(C2CC2)CC/C1=C\F
InChIInChI=1S/C12H20FN/c1-3-12(2)9-14(11-4-5-11)7-6-10(12)8-13/h8,11H,3-7,9H2,1-2H3/b10-8+/t12-/m1/s1
InChIKeyJCLUWDSATRIYPQ-ZJNQMXKESA-N
MW197.30 g/mol
LogP3.12
Rot. Bonds2

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

(3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine (PubChem CID 178101758) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine.

Molecular Properties

Compound Name(3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine
PubChem CID178101758
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine
SMILESCC[C@]1(C)CN(C2CC2)CC/C1=C\F
InChIInChI=1S/C12H20FN/c1-3-12(2)9-14(11-4-5-11)7-6-10(12)8-13/h8,11H,3-7,9H2,1-2H3/b10-8+/t12-/m1/s1
InChIKeyJCLUWDSATRIYPQ-ZJNQMXKESA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Difluoro-5-methyl-4-prop-1-en-2-yl-5-azaspiro[2.5]octane
CID 163675783
(4E)-1,2-ditert-butyl-4-(fluoromethylidene)piperidine
CID 166970164
7-Cyclopropyl-2-(difluoromethylidene)-7-azaspiro[3.5]nonane
CID 167273016
5-Ethyl-2,2-difluoro-4-prop-1-en-2-yl-5-azaspiro[2.5]octane
CID 169977756
(4E)-4-(fluoromethylidene)-1,3-dimethyl-3-propan-2-ylpiperidine
CID 176568518
6-[(2Z)-2-(fluoromethylidene)-5-methylhexyl]-6-azaspiro[2.5]octane
CID 176954866
4-(1,1-Difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 177031700
3-Fluoro-1-methyl-3-prop-1-en-2-ylpiperidine
CID 177187453
(4Z)-1-tert-butyl-4-(fluoromethylidene)-3,3-dimethylpiperidine
CID 177751799
(3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylprop-2-enyl)piperidine
CID 178101491
(5E)-5-(fluoromethylidene)-1,3,3-trimethylpiperidine
CID 178101831
(3S,4E)-1,3-diethyl-4-(fluoromethylidene)-3-methylpiperidine
CID 178101835

Frequently Asked Questions

What is the IUPAC name of (3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine?
The IUPAC name of (3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine (CID 178101758) is (3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine.
What is the SMILES notation for (3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine?
The canonical SMILES for (3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine is CC[C@]1(C)CN(C2CC2)CC/C1=C\F.
What is the InChIKey of (3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine?
The InChIKey is JCLUWDSATRIYPQ-ZJNQMXKESA-N. The full InChI is InChI=1S/C12H20FN/c1-3-12(2)9-14(11-4-5-11)7-6-10(12)8-13/h8,11H,3-7,9H2,1-2H3/b10-8+/t12-/m1/s1.
What are the key properties of (3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine?
(3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine has a molecular weight of 197.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4E)-1-cyclopropyl-3-ethyl-4-(fluoromethylidene)-3-methylpiperidine is sourced from PubChem (CID 178101758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).