6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine

C17H28FN3 — CID 123269892

IUPAC6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine
SMILESCC1CC(C2NCCC=C2C2CCCC(N)N2)C=CC1F
InChIInChI=1S/C17H28FN3/c1-11-10-12(7-8-14(11)18)17-13(4-3-9-20-17)15-5-2-6-16(19)21-15/h4,7-8,11-12,14-17,20-21H,2-3,5-6,9-10,19H2,1H3
InChIKeyXRZDBTXGZRQAEB-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.25
Rot. Bonds2

About 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine

6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine (PubChem CID 123269892) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine.

Molecular Properties

Compound Name6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine
PubChem CID123269892
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine
SMILESCC1CC(C2NCCC=C2C2CCCC(N)N2)C=CC1F
InChIInChI=1S/C17H28FN3/c1-11-10-12(7-8-14(11)18)17-13(4-3-9-20-17)15-5-2-6-16(19)21-15/h4,7-8,11-12,14-17,20-21H,2-3,5-6,9-10,19H2,1H3
InChIKeyXRZDBTXGZRQAEB-UHFFFAOYSA-N
XLogP2.25
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S,5R)-5-[(1R,5R)-5-fluorocyclohex-2-en-1-yl]-2-methyl-3-[(Z)-prop-1-enyl]piperidine
CID 71165840
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
4-[6-(3-Chloro-6-fluorocyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine
CID 123519620
6-fluoro-2,2-dimethyl-3,4,4a,5,6,8a-hexahydro-1H-quinoline
CID 123554630
N"-[5-[2-(3-chloro-4-fluorocyclohex-3-en-1-yl)piperidin-3-yl]-2,5-dihydro-1H-pyrrol-2-yl]methanetriamine
CID 123560066
2-Chloro-4-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,3-diazinane
CID 123845159
6-[6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 139453637
(6S)-6-[6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 139453698
6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453705
N'-[1-[2-(4-fluoro-5-methylcyclohex-2-en-1-yl)-2,5-dihydro-1H-pyrrol-3-yl]butyl]-N-methylmethanediamine
CID 144602079
5-(Cyclopenten-1-yl)-5-fluoro-2,7-dimethyl-1,2,3,4,4a,8,9,9a-octahydrocyclohepta[d]pyrimidine
CID 163833751
3-[(Z)-but-2-en-2-yl]-2-[(2Z,4E,6Z)-6-fluoronona-2,4,6-trien-4-yl]-5,6-dimethylpiperidine
CID 169593065

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine?
The IUPAC name of 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine (CID 123269892) is 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine.
What is the SMILES notation for 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine?
The canonical SMILES for 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine is CC1CC(C2NCCC=C2C2CCCC(N)N2)C=CC1F.
What is the InChIKey of 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine?
The InChIKey is XRZDBTXGZRQAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-11-10-12(7-8-14(11)18)17-13(4-3-9-20-17)15-5-2-6-16(19)21-15/h4,7-8,11-12,14-17,20-21H,2-3,5-6,9-10,19H2,1H3.
What are the key properties of 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine?
6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine has a molecular weight of 293.43 g/mol, XLogP of 2.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]piperidin-2-amine is sourced from PubChem (CID 123269892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).