5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole

C28H28F2N2 — CID 91802060

IUPAC5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole
SMILESCN1CCCCC1(Cc1ccc(F)cc1)Cc1cc(-c2ccc3[nH]ccc3c2)ccc1F
InChIInChI=1S/C28H28F2N2/c1-32-15-3-2-13-28(32,18-20-4-8-25(29)9-5-20)19-24-17-21(6-10-26(24)30)22-7-11-27-23(16-22)12-14-31-27/h4-12,14,16-17,31H,2-3,13,15,18-19H2,1H3
InChIKeyLPBBPSUCKLXAOW-UHFFFAOYSA-N
MW430.54 g/mol
LogP6.75
Rot. Bonds5

About 5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole

5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole (PubChem CID 91802060) has the molecular formula C28H28F2N2 and a molecular weight of 430.54 g/mol. Its IUPAC name is 5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole.

Molecular Properties

Compound Name5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole
PubChem CID91802060
Molecular FormulaC28H28F2N2
Molecular Weight430.54 g/mol
Exact Mass430.22
IUPAC Name5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole
SMILESCN1CCCCC1(Cc1ccc(F)cc1)Cc1cc(-c2ccc3[nH]ccc3c2)ccc1F
InChIInChI=1S/C28H28F2N2/c1-32-15-3-2-13-28(32,18-20-4-8-25(29)9-5-20)19-24-17-21(6-10-26(24)30)22-7-11-27-23(16-22)12-14-31-27/h4-12,14,16-17,31H,2-3,13,15,18-19H2,1H3
InChIKeyLPBBPSUCKLXAOW-UHFFFAOYSA-N
XLogP6.75
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.54
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole?
The IUPAC name of 5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole (CID 91802060) is 5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole.
What is the SMILES notation for 5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole?
The canonical SMILES for 5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole is CN1CCCCC1(Cc1ccc(F)cc1)Cc1cc(-c2ccc3[nH]ccc3c2)ccc1F.
What is the InChIKey of 5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole?
The InChIKey is LPBBPSUCKLXAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N2/c1-32-15-3-2-13-28(32,18-20-4-8-25(29)9-5-20)19-24-17-21(6-10-26(24)30)22-7-11-27-23(16-22)12-14-31-27/h4-12,14,16-17,31H,2-3,13,15,18-19H2,1H3.
What are the key properties of 5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole?
5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole has a molecular weight of 430.54 g/mol, XLogP of 6.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-[[2-[(4-fluorophenyl)methyl]-1-methylpiperidin-2-yl]methyl]phenyl]-1H-indole is sourced from PubChem (CID 91802060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).