N-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine

C17H21F4N3 — CID 156712264

IUPACN-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESCc1cc2c(NC3CCN(C)CC3F)cccc2n1CC(F)(F)F
InChIInChI=1S/C17H21F4N3/c1-11-8-12-14(22-15-6-7-23(2)9-13(15)18)4-3-5-16(12)24(11)10-17(19,20)21/h3-5,8,13,15,22H,6-7,9-10H2,1-2H3
InChIKeyKTZMKQHHKYMOKD-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.97
Rot. Bonds3

About N-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine

N-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine (PubChem CID 156712264) has the molecular formula C17H21F4N3 and a molecular weight of 343.37 g/mol. Its IUPAC name is N-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine
PubChem CID156712264
Molecular FormulaC17H21F4N3
Molecular Weight343.37 g/mol
Exact Mass343.17
IUPAC NameN-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESCc1cc2c(NC3CCN(C)CC3F)cccc2n1CC(F)(F)F
InChIInChI=1S/C17H21F4N3/c1-11-8-12-14(22-15-6-7-23(2)9-13(15)18)4-3-5-16(12)24(11)10-17(19,20)21/h3-5,8,13,15,22H,6-7,9-10H2,1-2H3
InChIKeyKTZMKQHHKYMOKD-UHFFFAOYSA-N
XLogP3.97
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2-prop-1-ynyl-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 175294908
4-[(3-fluoro-1-methylpiperidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)indole-2-carbohydrazide
CID 157048025
2-[4-(aminomethyl)phenyl]-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 157048347
4-N-(3-fluoro-1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)indole-2,4-diamine;formamide;propane
CID 157047401
N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-2-[3-(2-methoxyanilino)prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 175294867
N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 166562375
ethane;2-methyl-N-(4-methylcyclohexyl)-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 156712354
N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-[3-[4-[hydroxy(dimethyl)-λ4-sulfanyl]-2-methoxyanilino]prop-1-ynyl]-1-(2,2,2-trifluoroethyl)indol-4-amine
CID 162526203
[5-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,3,4-thiadiazol-2-yl]methyl N-methylcarbamate
CID 157047216
N-[[5-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,3,4-thiadiazol-2-yl]methyl]-1-methylpiperidine-4-carboxamide
CID 157048298
N-[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynyl]-2-phenylcyclopropane-1-carboxamide
CID 169283917
N-[[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methylindazol-4-amine
CID 157047893

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine?
The IUPAC name of N-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine (CID 156712264) is N-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine.
What is the SMILES notation for N-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine?
The canonical SMILES for N-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine is Cc1cc2c(NC3CCN(C)CC3F)cccc2n1CC(F)(F)F.
What is the InChIKey of N-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine?
The InChIKey is KTZMKQHHKYMOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F4N3/c1-11-8-12-14(22-15-6-7-23(2)9-13(15)18)4-3-5-16(12)24(11)10-17(19,20)21/h3-5,8,13,15,22H,6-7,9-10H2,1-2H3.
What are the key properties of N-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine?
N-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine has a molecular weight of 343.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-1-methylpiperidin-4-yl)-2-methyl-1-(2,2,2-trifluoroethyl)indol-4-amine is sourced from PubChem (CID 156712264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).