(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine

C10H17FN2 — CID 123919585

IUPAC(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
SMILESCCC(F)/C=C1/CCNC/C1=N\C
InChIInChI=1S/C10H17FN2/c1-3-9(11)6-8-4-5-13-7-10(8)12-2/h6,9,13H,3-5,7H2,1-2H3/b8-6-,12-10+
InChIKeyZCBCLVCOPOOWOM-DEOFSOSHSA-N
MW184.26 g/mol
LogP1.73
Rot. Bonds2

About (4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine

(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine (PubChem CID 123919585) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is (4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine.

Molecular Properties

Compound Name(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
PubChem CID123919585
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
SMILESCCC(F)/C=C1/CCNC/C1=N\C
InChIInChI=1S/C10H17FN2/c1-3-9(11)6-8-4-5-13-7-10(8)12-2/h6,9,13H,3-5,7H2,1-2H3/b8-6-,12-10+
InChIKeyZCBCLVCOPOOWOM-DEOFSOSHSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine?
The IUPAC name of (4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine (CID 123919585) is (4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine.
What is the SMILES notation for (4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine?
The canonical SMILES for (4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine is CCC(F)/C=C1/CCNC/C1=N\C.
What is the InChIKey of (4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine?
The InChIKey is ZCBCLVCOPOOWOM-DEOFSOSHSA-N. The full InChI is InChI=1S/C10H17FN2/c1-3-9(11)6-8-4-5-13-7-10(8)12-2/h6,9,13H,3-5,7H2,1-2H3/b8-6-,12-10+.
What are the key properties of (4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine?
(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine has a molecular weight of 184.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine is sourced from PubChem (CID 123919585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).