4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine

C14H23FN2 — CID 143466131

IUPAC4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine
SMILESCC=C(/C=C\C=C(/C)F)C1CCN(NC)CC1
InChIInChI=1S/C14H23FN2/c1-4-13(7-5-6-12(2)15)14-8-10-17(16-3)11-9-14/h4-7,14,16H,8-11H2,1-3H3/b7-5-,12-6+,13-4?
InChIKeySASDGTVZMGBSIG-RNCZRJFXSA-N
MW238.35 g/mol
LogP3.21
Rot. Bonds4

About 4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine

4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine (PubChem CID 143466131) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine.

Molecular Properties

Compound Name4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine
PubChem CID143466131
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine
SMILESCC=C(/C=C\C=C(/C)F)C1CCN(NC)CC1
InChIInChI=1S/C14H23FN2/c1-4-13(7-5-6-12(2)15)14-8-10-17(16-3)11-9-14/h4-7,14,16H,8-11H2,1-3H3/b7-5-,12-6+,13-4?
InChIKeySASDGTVZMGBSIG-RNCZRJFXSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine with MolForge

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Related Compounds

4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
4-[(2E,4E)-5-fluoropenta-2,4-dien-2-yl]piperidin-1-amine
CID 134365634
4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine
CID 134365700
1-[[(5R)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methyl]-1,2-dimethylhydrazine
CID 166651439
4-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]piperidine
CID 169892261
2-(3,4-Dimethylhepta-4,6-dienyl)-1,1-diethylhydrazine
CID 123196619
(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-methyldiazinane
CID 144825298
3-methyl-2,4,8,8a-tetrahydro-1H-phthalazine
CID 154385450
N-[(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl]piperidin-1-amine
CID 145628687

Frequently Asked Questions

What is the IUPAC name of 4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine?
The IUPAC name of 4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine (CID 143466131) is 4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine.
What is the SMILES notation for 4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine?
The canonical SMILES for 4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine is CC=C(/C=C\C=C(/C)F)C1CCN(NC)CC1.
What is the InChIKey of 4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine?
The InChIKey is SASDGTVZMGBSIG-RNCZRJFXSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-13(7-5-6-12(2)15)14-8-10-17(16-3)11-9-14/h4-7,14,16H,8-11H2,1-3H3/b7-5-,12-6+,13-4?.
What are the key properties of 4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine?
4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine has a molecular weight of 238.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z,6E)-7-fluoroocta-2,4,6-trien-3-yl]-N-methylpiperidin-1-amine is sourced from PubChem (CID 143466131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).