1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine

C13H21FN2 — CID 176553006

IUPAC1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
SMILESCC1=CCC(C)C(F)=C1N1CCC(N)CC1
InChIInChI=1S/C13H21FN2/c1-9-3-4-10(2)13(12(9)14)16-7-5-11(15)6-8-16/h4,9,11H,3,5-8,15H2,1-2H3
InChIKeyDYXNGXBGONRVDZ-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.58
Rot. Bonds1

About 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine

1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine (PubChem CID 176553006) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
PubChem CID176553006
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
SMILESCC1=CCC(C)C(F)=C1N1CCC(N)CC1
InChIInChI=1S/C13H21FN2/c1-9-3-4-10(2)13(12(9)14)16-7-5-11(15)6-8-16/h4,9,11H,3,5-8,15H2,1-2H3
InChIKeyDYXNGXBGONRVDZ-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
N-[(5Z,6E)-3-[(2Z,4E)-2-amino-1-fluorohepta-2,4-dien-4-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085351
(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
5-fluoro-2-[1-(6-methylpiperidin-3-yl)ethylidene]-1H-pyridine
CID 123278977
4-[4-(3-Fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
CID 123309603
4-[1-(2-Fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine
CID 123442072
2-[2-(4-Ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine
CID 123501782
3-N-piperidin-4-yl-5-(trifluoromethyl)cyclohexa-1,5-diene-1,3-diamine
CID 134408941

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The IUPAC name of 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine (CID 176553006) is 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The canonical SMILES for 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine is CC1=CCC(C)C(F)=C1N1CCC(N)CC1.
What is the InChIKey of 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The InChIKey is DYXNGXBGONRVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-9-3-4-10(2)13(12(9)14)16-7-5-11(15)6-8-16/h4,9,11H,3,5-8,15H2,1-2H3.
What are the key properties of 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine has a molecular weight of 224.32 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidin-4-amine is sourced from PubChem (CID 176553006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).