4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine

C13H23FN2 — CID 123261359

IUPAC4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine
SMILES[H]/N=C(\CC)C(F)=CC(C)C1CCN(C)CC1
InChIInChI=1S/C13H23FN2/c1-4-13(15)12(14)9-10(2)11-5-7-16(3)8-6-11/h9-11,15H,4-8H2,1-3H3/b12-9?,15-13+
InChIKeySRJIHMNMXBGGBK-GBRAQZIQSA-N
MW226.34 g/mol
LogP3.25
Rot. Bonds4

About 4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine

4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine (PubChem CID 123261359) has the molecular formula C13H23FN2 and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine.

Molecular Properties

Compound Name4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine
PubChem CID123261359
Molecular FormulaC13H23FN2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC Name4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine
SMILES[H]/N=C(\CC)C(F)=CC(C)C1CCN(C)CC1
InChIInChI=1S/C13H23FN2/c1-4-13(15)12(14)9-10(2)11-5-7-16(3)8-6-11/h9-11,15H,4-8H2,1-3H3/b12-9?,15-13+
InChIKeySRJIHMNMXBGGBK-GBRAQZIQSA-N
XLogP3.25
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-Fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine
CID 123277706
(Z)-6,6-difluoro-8-(1-methylpiperidin-4-yl)oct-3-ene-2,5-diimine
CID 142021201
(2Z,5E)-1-(1-ethylpiperidin-4-yl)-3,6-difluoro-2-methylocta-2,5-dien-1-imine
CID 143787887
5-Methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine
CID 123282533

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine?
The IUPAC name of 4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine (CID 123261359) is 4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine.
What is the SMILES notation for 4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine?
The canonical SMILES for 4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine is [H]/N=C(\CC)C(F)=CC(C)C1CCN(C)CC1.
What is the InChIKey of 4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine?
The InChIKey is SRJIHMNMXBGGBK-GBRAQZIQSA-N. The full InChI is InChI=1S/C13H23FN2/c1-4-13(15)12(14)9-10(2)11-5-7-16(3)8-6-11/h9-11,15H,4-8H2,1-3H3/b12-9?,15-13+.
What are the key properties of 4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine?
4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine has a molecular weight of 226.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(1-methylpiperidin-4-yl)hept-4-en-3-imine is sourced from PubChem (CID 123261359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).