5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine

C12H19FN2 — CID 123277706

IUPAC5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine
SMILES[H]/N=C(/C=C(C)C1CCCN(F)C1)C(=C)C
InChIInChI=1S/C12H19FN2/c1-9(2)12(14)7-10(3)11-5-4-6-15(13)8-11/h7,11,14H,1,4-6,8H2,2-3H3/b10-7?,14-12-
InChIKeySYUOYAYWPSPMBJ-IZSICDCFSA-N
MW210.30 g/mol
LogP3.13
Rot. Bonds3

About 5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine

5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine (PubChem CID 123277706) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine.

Molecular Properties

Compound Name5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine
PubChem CID123277706
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine
SMILES[H]/N=C(/C=C(C)C1CCCN(F)C1)C(=C)C
InChIInChI=1S/C12H19FN2/c1-9(2)12(14)7-10(3)11-5-4-6-15(13)8-11/h7,11,14H,1,4-6,8H2,2-3H3/b10-7?,14-12-
InChIKeySYUOYAYWPSPMBJ-IZSICDCFSA-N
XLogP3.13
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine
CID 123261359
(2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine
CID 143787887
(E)-4-piperidin-4-ylpent-3-en-2-imine
CID 123268672
5-Methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine
CID 123282533
(E)-4-piperidin-3-ylpent-3-en-2-imine
CID 123503371
4-[(4-Methylpiperidin-1-yl)methyl]cycloocta-2,4-dien-1-imine
CID 123720024
(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine
CID 123845307
4-(3-Methylhexan-2-ylidene)piperidin-3-imine
CID 123972348
(Z)-1-piperidin-4-ylbut-2-en-1-imine
CID 162748453
(3Z)-3-ethylidene-N,5-dimethylpiperidin-4-imine
CID 143605430

Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine?
The IUPAC name of 5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine (CID 123277706) is 5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine.
What is the SMILES notation for 5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine?
The canonical SMILES for 5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine is [H]/N=C(/C=C(C)C1CCCN(F)C1)C(=C)C.
What is the InChIKey of 5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine?
The InChIKey is SYUOYAYWPSPMBJ-IZSICDCFSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9(2)12(14)7-10(3)11-5-4-6-15(13)8-11/h7,11,14H,1,4-6,8H2,2-3H3/b10-7?,14-12-.
What are the key properties of 5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine?
5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine has a molecular weight of 210.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine is sourced from PubChem (CID 123277706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).