5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine

C13H19FN2 — CID 177223315

IUPAC5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
SMILESC=C1C=C(NC)C=C(F)C1N1CCCCC1
InChIInChI=1S/C13H19FN2/c1-10-8-11(15-2)9-12(14)13(10)16-6-4-3-5-7-16/h8-9,13,15H,1,3-7H2,2H3
InChIKeyAIVSKLLOUVVQQA-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.37
Rot. Bonds2

About 5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine

5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine (PubChem CID 177223315) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
PubChem CID177223315
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
SMILESC=C1C=C(NC)C=C(F)C1N1CCCCC1
InChIInChI=1S/C13H19FN2/c1-10-8-11(15-2)9-12(14)13(10)16-6-4-3-5-7-16/h8-9,13,15H,1,3-7H2,2H3
InChIKeyAIVSKLLOUVVQQA-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline
CID 54444424
6-(5-fluorocyclohexa-1,5-dien-1-yl)-2-methyl-N-piperidin-4-yl-3,8a-dihydro-1H-isoquinolin-8-amine
CID 68244407
5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
2-(4-Fluorocyclohexen-1-yl)-1,2,3,4,8,8a-hexahydroquinolin-6-amine
CID 69620460
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70311004
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
6-(5-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903857
6-[6-(fluoromethyl)-1,2-dihydropyridin-3-yl]-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903868
6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903928
(3E)-4-[4-[(3E)-3-ethyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazin-1-yl]-N-(2-methylpropyl)penta-1,3-dien-2-amine
CID 88576759
N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 88905205
N-[(5Z,6E)-3-[(1E,3E)-1-amino-4-fluorohexa-1,3,5-trien-2-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085334

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine (CID 177223315) is 5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine is C=C1C=C(NC)C=C(F)C1N1CCCCC1.
What is the InChIKey of 5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is AIVSKLLOUVVQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10-8-11(15-2)9-12(14)13(10)16-6-4-3-5-7-16/h8-9,13,15H,1,3-7H2,2H3.
What are the key properties of 5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine?
5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 222.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-3-methylidene-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 177223315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).