2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine

C22H25ClFN3 — CID 58730780

IUPAC2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccccc4Cl)c(F)c3c2)CC1
InChIInChI=1S/C22H25ClFN3/c1-25-10-13-27-11-8-15(9-12-27)16-6-7-20-18(14-16)21(24)22(26-20)17-4-2-3-5-19(17)23/h2-7,14-15,25-26H,8-13H2,1H3
InChIKeyFEHDCYJWQSIHJA-UHFFFAOYSA-N
MW385.91 g/mol
LogP5.03
Rot. Bonds5

About 2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine

2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 58730780) has the molecular formula C22H25ClFN3 and a molecular weight of 385.91 g/mol. Its IUPAC name is 2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID58730780
Molecular FormulaC22H25ClFN3
Molecular Weight385.91 g/mol
Exact Mass385.17
IUPAC Name2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccccc4Cl)c(F)c3c2)CC1
InChIInChI=1S/C22H25ClFN3/c1-25-10-13-27-11-8-15(9-12-27)16-6-7-20-18(14-16)21(24)22(26-20)17-4-2-3-5-19(17)23/h2-7,14-15,25-26H,8-13H2,1H3
InChIKeyFEHDCYJWQSIHJA-UHFFFAOYSA-N
XLogP5.03
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.91
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (CID 58730780) is 2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2ccc3[nH]c(-c4ccccc4Cl)c(F)c3c2)CC1.
What is the InChIKey of 2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is FEHDCYJWQSIHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3/c1-25-10-13-27-11-8-15(9-12-27)16-6-7-20-18(14-16)21(24)22(26-20)17-4-2-3-5-19(17)23/h2-7,14-15,25-26H,8-13H2,1H3.
What are the key properties of 2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 385.91 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 58730780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).