N-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine

C20H21F2N3 — CID 53494038

IUPACN-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine
SMILESCN1CCC(c2c[nH]c3cc(Nc4ccc(F)c(F)c4)ccc23)CC1
InChIInChI=1S/C20H21F2N3/c1-25-8-6-13(7-9-25)17-12-23-20-11-15(2-4-16(17)20)24-14-3-5-18(21)19(22)10-14/h2-5,10-13,23-24H,6-9H2,1H3
InChIKeyXSKHVQSXIRCFRU-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.00
Rot. Bonds3

About N-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine

N-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine (PubChem CID 53494038) has the molecular formula C20H21F2N3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine
PubChem CID53494038
Molecular FormulaC20H21F2N3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine
SMILESCN1CCC(c2c[nH]c3cc(Nc4ccc(F)c(F)c4)ccc23)CC1
InChIInChI=1S/C20H21F2N3/c1-25-8-6-13(7-9-25)17-12-23-20-11-15(2-4-16(17)20)24-14-3-5-18(21)19(22)10-14/h2-5,10-13,23-24H,6-9H2,1H3
InChIKeyXSKHVQSXIRCFRU-UHFFFAOYSA-N
XLogP5.00
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine?
The IUPAC name of N-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine (CID 53494038) is N-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine is CN1CCC(c2c[nH]c3cc(Nc4ccc(F)c(F)c4)ccc23)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine?
The InChIKey is XSKHVQSXIRCFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3/c1-25-8-6-13(7-9-25)17-12-23-20-11-15(2-4-16(17)20)24-14-3-5-18(21)19(22)10-14/h2-5,10-13,23-24H,6-9H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine?
N-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine has a molecular weight of 341.41 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine is sourced from PubChem (CID 53494038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).