[(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium

C20H30FN4+ — CID 156732508

IUPAC[(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium
SMILESCC1CC=CC(F)C1C1C=c2[nH]c(N)cc2=C(N2CCC[C@H]([NH3+])C2)C1
InChIInChI=1S/C20H29FN4/c1-12-4-2-6-16(21)20(12)13-8-17-15(10-19(23)24-17)18(9-13)25-7-3-5-14(22)11-25/h2,6,8,10,12-14,16,20,24H,3-5,7,9,11,22-23H2,1H3/p+1/t12?,13?,14-,16?,20?/m0/s1
InChIKeyXRJFZQPKCHUQKI-CEIAKLMWSA-O
MW345.49 g/mol
LogP0.76
Rot. Bonds2

About [(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium

[(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium (PubChem CID 156732508) has the molecular formula C20H30FN4+ and a molecular weight of 345.49 g/mol. Its IUPAC name is [(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium.

Molecular Properties

Compound Name[(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium
PubChem CID156732508
Molecular FormulaC20H30FN4+
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name[(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium
SMILESCC1CC=CC(F)C1C1C=c2[nH]c(N)cc2=C(N2CCC[C@H]([NH3+])C2)C1
InChIInChI=1S/C20H29FN4/c1-12-4-2-6-16(21)20(12)13-8-17-15(10-19(23)24-17)18(9-13)25-7-3-5-14(22)11-25/h2,6,8,10,12-14,16,20,24H,3-5,7,9,11,22-23H2,1H3/p+1/t12?,13?,14-,16?,20?/m0/s1
InChIKeyXRJFZQPKCHUQKI-CEIAKLMWSA-O
XLogP0.76
TPSA72.69 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(4-fluoropiperidin-1-yl)prop-2-enyl]-4-azabicyclo[6.3.1]dodeca-8,10-dien-12-yl]-N-methylethanamine
CID 138748852
1-(4,4-difluorocyclohexyl)-N-[(5-piperazin-1-yl-2,3,4,7-tetrahydro-1H-cyclohepta[c]pyridin-3-yl)methyl]methanamine
CID 142416870
2-[(E)-1-[3,5-dimethyl-4-[1-[3-(4-methylpiperazin-1-yl)propylamino]ethenyl]-2,3-dihydro-1H-pyrrol-2-yl]prop-1-en-2-yl]-4-fluoro-1-methylcyclohexa-2,4-dien-1-amine
CID 155719271
4-[(3S)-3-aminopiperidin-1-yl]-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-2-amine
CID 156732509
2-Cyclohexyl-11,14-diazatetracyclo[9.6.1.05,18.012,17]octadeca-1(17),5(18),7,9-tetraene
CID 54418192
6-(1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)-N-(1-methylpiperidin-4-yl)-2,3,4,4a,5,6-hexahydroisoquinolin-8-amine
CID 68244095
N,1-dimethyl-N-[(4E,6E)-7-piperidin-4-ylnona-4,6,8-trien-4-yl]-2,3,4,5-tetrahydroimidazo[4,5-c]pyridin-6-amine
CID 89748414
1-[1-[2-(4-Ethylcyclohexa-1,3-dien-1-yl)-5-(4-ethyl-7,8-dimethylnona-1,5-dienyl)-2,3-dihydropyrrol-1-yl]ethenyl]piperazine
CID 123225076
1-N'-[(3Z)-3-[[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]-(6-methylcyclohexa-1,3-dien-1-yl)methylidene]penta-1,4-dien-2-yl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine
CID 130374478
(3Z)-2-N-[[4-(2-cyclohepta-1,3,6-trien-1-ylethyl)piperidin-1-yl]methyl]-3-N-[(2Z,4Z)-hexa-2,4-dienyl]penta-1,3-diene-2,3,4-triamine;ethane
CID 142855679
(4E)-4-(imidazolidin-4-ylmethylidene)-N-methyl-N-propan-2-yl-2,3,4a,5-tetrahydro-1H-quinolin-6-amine
CID 143852059
3-[(3-ethenyl-6-methyl-1,2-dihydropyridin-2-yl)methyl]-5-ethyl-1-methyl-3a,4,5,7a-tetrahydro-2H-benzimidazol-2-amine
CID 164164943

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium?
The IUPAC name of [(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium (CID 156732508) is [(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium.
What is the SMILES notation for [(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium?
The canonical SMILES for [(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium is CC1CC=CC(F)C1C1C=c2[nH]c(N)cc2=C(N2CCC[C@H]([NH3+])C2)C1.
What is the InChIKey of [(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium?
The InChIKey is XRJFZQPKCHUQKI-CEIAKLMWSA-O. The full InChI is InChI=1S/C20H29FN4/c1-12-4-2-6-16(21)20(12)13-8-17-15(10-19(23)24-17)18(9-13)25-7-3-5-14(22)11-25/h2,6,8,10,12-14,16,20,24H,3-5,7,9,11,22-23H2,1H3/p+1/t12?,13?,14-,16?,20?/m0/s1.
What are the key properties of [(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium?
[(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium has a molecular weight of 345.49 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-amino-6-(2-fluoro-6-methylcyclohex-3-en-1-yl)-5,6-dihydro-1H-indol-4-yl]piperidin-3-yl]azanium is sourced from PubChem (CID 156732508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).