N-(3,4-difluorophenyl)-1-methyl-3-piperidin-4-ylindol-6-amine

C20H21F2N3 — CID 53493913

IUPACN-(3,4-difluorophenyl)-1-methyl-3-piperidin-4-ylindol-6-amine
SMILESCn1cc(C2CCNCC2)c2ccc(Nc3ccc(F)c(F)c3)cc21
InChIInChI=1S/C20H21F2N3/c1-25-12-17(13-6-8-23-9-7-13)16-4-2-15(11-20(16)25)24-14-3-5-18(21)19(22)10-14/h2-5,10-13,23-24H,6-9H2,1H3
InChIKeyWVEVVUHCBHWRKY-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.67
Rot. Bonds3

About N-(3,4-difluorophenyl)-1-methyl-3-piperidin-4-ylindol-6-amine

N-(3,4-difluorophenyl)-1-methyl-3-piperidin-4-ylindol-6-amine (PubChem CID 53493913) has the molecular formula C20H21F2N3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-methyl-3-piperidin-4-ylindol-6-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-methyl-3-piperidin-4-ylindol-6-amine
PubChem CID53493913
Molecular FormulaC20H21F2N3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(3,4-difluorophenyl)-1-methyl-3-piperidin-4-ylindol-6-amine
SMILESCn1cc(C2CCNCC2)c2ccc(Nc3ccc(F)c(F)c3)cc21
InChIInChI=1S/C20H21F2N3/c1-25-12-17(13-6-8-23-9-7-13)16-4-2-15(11-20(16)25)24-14-3-5-18(21)19(22)10-14/h2-5,10-13,23-24H,6-9H2,1H3
InChIKeyWVEVVUHCBHWRKY-UHFFFAOYSA-N
XLogP4.67
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-methyl-3-piperidin-4-ylindol-6-amine?
The IUPAC name of N-(3,4-difluorophenyl)-1-methyl-3-piperidin-4-ylindol-6-amine (CID 53493913) is N-(3,4-difluorophenyl)-1-methyl-3-piperidin-4-ylindol-6-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-methyl-3-piperidin-4-ylindol-6-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-1-methyl-3-piperidin-4-ylindol-6-amine is Cn1cc(C2CCNCC2)c2ccc(Nc3ccc(F)c(F)c3)cc21.
What is the InChIKey of N-(3,4-difluorophenyl)-1-methyl-3-piperidin-4-ylindol-6-amine?
The InChIKey is WVEVVUHCBHWRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3/c1-25-12-17(13-6-8-23-9-7-13)16-4-2-15(11-20(16)25)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)-1-methyl-3-piperidin-4-ylindol-6-amine?
N-(3,4-difluorophenyl)-1-methyl-3-piperidin-4-ylindol-6-amine has a molecular weight of 341.41 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-methyl-3-piperidin-4-ylindol-6-amine is sourced from PubChem (CID 53493913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).