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

C12H19FN2 — CID 144808707

IUPACN-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
SMILESCC1C=C(F)C(NC2CCNCC2)=CC1
InChIInChI=1S/C12H19FN2/c1-9-2-3-12(11(13)8-9)15-10-4-6-14-7-5-10/h3,8-10,14-15H,2,4-7H2,1H3
InChIKeySJTSFNGFSMAHNI-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.11
Rot. Bonds2

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

N-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine (PubChem CID 144808707) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
PubChem CID144808707
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
SMILESCC1C=C(F)C(NC2CCNCC2)=CC1
InChIInChI=1S/C12H19FN2/c1-9-2-3-12(11(13)8-9)15-10-4-6-14-7-5-10/h3,8-10,14-15H,2,4-7H2,1H3
InChIKeySJTSFNGFSMAHNI-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
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
6-Piperidin-4-yl-2-(trifluoromethyl)-1,2-dihydropyridine
CID 69099444
2-Piperidin-4-yl-6-(trifluoromethyl)-1,2-dihydropyridine
CID 69099446
5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
2-[2-(Fluoromethyl)piperidin-4-yl]-1,2-dihydropyridine
CID 69107961
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-(4-amino-3-fluorocyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085321
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)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085337
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

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The IUPAC name of N-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine (CID 144808707) is N-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine.
What is the SMILES notation for N-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The canonical SMILES for N-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine is CC1C=C(F)C(NC2CCNCC2)=CC1.
What is the InChIKey of N-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
The InChIKey is SJTSFNGFSMAHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9-2-3-12(11(13)8-9)15-10-4-6-14-7-5-10/h3,8-10,14-15H,2,4-7H2,1H3.
What are the key properties of N-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine?
N-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine has a molecular weight of 210.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine is sourced from PubChem (CID 144808707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).