(Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine

C14H23FN2 — CID 143430959

IUPAC(Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine
SMILESC=C(/N=C/C(F)=C(\C)N1CCCCC1)C(C)C
InChIInChI=1S/C14H23FN2/c1-11(2)12(3)16-10-14(15)13(4)17-8-6-5-7-9-17/h10-11H,3,5-9H2,1-2,4H3/b14-13-,16-10+
InChIKeyGZWYJQSBQIATCR-WNKZJRRISA-N
MW238.35 g/mol
LogP3.91
Rot. Bonds4

About (Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine

(Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine (PubChem CID 143430959) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is (Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine
PubChem CID143430959
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name(Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine
SMILESC=C(/N=C/C(F)=C(\C)N1CCCCC1)C(C)C
InChIInChI=1S/C14H23FN2/c1-11(2)12(3)16-10-14(15)13(4)17-8-6-5-7-9-17/h10-11H,3,5-9H2,1-2,4H3/b14-13-,16-10+
InChIKeyGZWYJQSBQIATCR-WNKZJRRISA-N
XLogP3.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine
CID 145198060
N-methyl-2-piperidin-1-ylprop-2-en-1-imine
CID 129301015
ethane;6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine
CID 145198059
(E)-N-methyl-2-piperidin-1-ylbut-2-en-1-imine
CID 13699558
(E)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine
CID 13699560
(Z)-N-methyl-2-piperidin-1-ylbut-2-en-1-imine
CID 21629331
(Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine
CID 23240096

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine?
The IUPAC name of (Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine (CID 143430959) is (Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine.
What is the SMILES notation for (Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine?
The canonical SMILES for (Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine is C=C(/N=C/C(F)=C(\C)N1CCCCC1)C(C)C.
What is the InChIKey of (Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine?
The InChIKey is GZWYJQSBQIATCR-WNKZJRRISA-N. The full InChI is InChI=1S/C14H23FN2/c1-11(2)12(3)16-10-14(15)13(4)17-8-6-5-7-9-17/h10-11H,3,5-9H2,1-2,4H3/b14-13-,16-10+.
What are the key properties of (Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine?
(Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine has a molecular weight of 238.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine is sourced from PubChem (CID 143430959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).