3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole

C33H29Cl2FN2 — CID 11444129

IUPAC3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole
SMILESFc1ccc(Cn2c(-c3ccccc3)c(CN3CCC(c4c(Cl)cccc4Cl)CC3)c3ccccc32)cc1
InChIInChI=1S/C33H29Cl2FN2/c34-29-10-6-11-30(35)32(29)24-17-19-37(20-18-24)22-28-27-9-4-5-12-31(27)38(21-23-13-15-26(36)16-14-23)33(28)25-7-2-1-3-8-25/h1-16,24H,17-22H2
InChIKeySXHFCRHHOIIWRL-UHFFFAOYSA-N
MW543.51 g/mol
LogP9.18
Rot. Bonds6

About 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole

3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole (PubChem CID 11444129) has the molecular formula C33H29Cl2FN2 and a molecular weight of 543.51 g/mol. Its IUPAC name is 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole.

Molecular Properties

Compound Name3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole
PubChem CID11444129
Molecular FormulaC33H29Cl2FN2
Molecular Weight543.51 g/mol
Exact Mass542.17
IUPAC Name3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole
SMILESFc1ccc(Cn2c(-c3ccccc3)c(CN3CCC(c4c(Cl)cccc4Cl)CC3)c3ccccc32)cc1
InChIInChI=1S/C33H29Cl2FN2/c34-29-10-6-11-30(35)32(29)24-17-19-37(20-18-24)22-28-27-9-4-5-12-31(27)38(21-23-13-15-26(36)16-14-23)33(28)25-7-2-1-3-8-25/h1-16,24H,17-22H2
InChIKeySXHFCRHHOIIWRL-UHFFFAOYSA-N
XLogP9.18
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.51
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole?
The IUPAC name of 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole (CID 11444129) is 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole.
What is the SMILES notation for 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole?
The canonical SMILES for 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole is Fc1ccc(Cn2c(-c3ccccc3)c(CN3CCC(c4c(Cl)cccc4Cl)CC3)c3ccccc32)cc1.
What is the InChIKey of 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole?
The InChIKey is SXHFCRHHOIIWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2FN2/c34-29-10-6-11-30(35)32(29)24-17-19-37(20-18-24)22-28-27-9-4-5-12-31(27)38(21-23-13-15-26(36)16-14-23)33(28)25-7-2-1-3-8-25/h1-16,24H,17-22H2.
What are the key properties of 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole?
3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole has a molecular weight of 543.51 g/mol, XLogP of 9.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-2-phenylindole is sourced from PubChem (CID 11444129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).