5-fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine

C12H19FN2 — CID 177223294

IUPAC5-fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
SMILESCC1(N2CCCCC2)CC=C(N)C=C1F
InChIInChI=1S/C12H19FN2/c1-12(15-7-3-2-4-8-15)6-5-10(14)9-11(12)13/h5,9H,2-4,6-8,14H2,1H3
InChIKeyFPECVMDFSBRERD-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.33
Rot. Bonds1

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

5-fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine (PubChem CID 177223294) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 5-fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name5-fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
PubChem CID177223294
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name5-fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
SMILESCC1(N2CCCCC2)CC=C(N)C=C1F
InChIInChI=1S/C12H19FN2/c1-12(15-7-3-2-4-8-15)6-5-10(14)9-11(12)13/h5,9H,2-4,6-8,14H2,1H3
InChIKeyFPECVMDFSBRERD-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

3-Fluoro-4-[3-(4-methylpiperazin-1-yl)propyl]cyclohexa-1,5-diene-1,4-diamine
CID 68644223
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 90224007
4-[1-(2-Fluoroethyl)piperidin-4-yl]cyclohepta-1,3,5,6-tetraen-1-amine
CID 123442072
1-(3-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 123598247
(3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine
CID 137483340
N-methyl-1-[1-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-yl]ethenamine
CID 139332591
4-[3-(Dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 143818286
(2E)-6-fluoro-2-methyl-7-piperidin-1-ylocta-2,5,7-trien-1-amine
CID 144045723
N-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 144808707
5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 145128277
(5E)-1-N-ethyl-5-fluoro-1-N,3-dimethyl-4-methylideneocta-5,7-diene-1,7-diamine
CID 145549510
5-Fluoro-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine
CID 146517316

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 5-fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine (CID 177223294) is 5-fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 5-fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 5-fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine is CC1(N2CCCCC2)CC=C(N)C=C1F.
What is the InChIKey of 5-fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is FPECVMDFSBRERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-12(15-7-3-2-4-8-15)6-5-10(14)9-11(12)13/h5,9H,2-4,6-8,14H2,1H3.
What are the key properties of 5-fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine?
5-fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-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 5-fluoro-4-methyl-4-piperidin-1-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 177223294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).