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

C12H19FN2 — CID 176552600

IUPAC1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
SMILESCC1=CCCC(F)=C1N1CCC(N)CC1
InChIInChI=1S/C12H19FN2/c1-9-3-2-4-11(13)12(9)15-7-5-10(14)6-8-15/h3,10H,2,4-8,14H2,1H3
InChIKeyKVFUDGFGCBCPOI-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.33
Rot. Bonds1

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

1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine (PubChem CID 176552600) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
PubChem CID176552600
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
SMILESCC1=CCCC(F)=C1N1CCC(N)CC1
InChIInChI=1S/C12H19FN2/c1-9-3-2-4-11(13)12(9)15-7-5-10(14)6-8-15/h3,10H,2,4-8,14H2,1H3
InChIKeyKVFUDGFGCBCPOI-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.33
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
6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903928
(2E,4Z)-4-[(4,4-difluoropiperidin-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 88905164
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
N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085336
N-[(5Z,6E)-6-(aminomethylidene)-3-[6-(fluoromethyl)-1,2-dihydropyridin-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085340
N-[(5Z,6E)-3-[(3E,5Z)-6-amino-7,7-difluorohepta-3,5-dien-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085346
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
N-[(5Z,6E)-6-(aminomethylidene)-3-(2-fluoro-1,2-dihydropyridin-6-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085527

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The IUPAC name of 1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine (CID 176552600) is 1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The canonical SMILES for 1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine is CC1=CCCC(F)=C1N1CCC(N)CC1.
What is the InChIKey of 1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The InChIKey is KVFUDGFGCBCPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9-3-2-4-11(13)12(9)15-7-5-10(14)6-8-15/h3,10H,2,4-8,14H2,1H3.
What are the key properties of 1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine has a molecular weight of 210.30 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine is sourced from PubChem (CID 176552600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).