5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole

C19H18ClFN2 — CID 70095651

IUPAC5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole
SMILESFc1ccc(-c2[nH]c3ccc(Cl)cc3c2C2CCNCC2)cc1
InChIInChI=1S/C19H18ClFN2/c20-14-3-6-17-16(11-14)18(12-7-9-22-10-8-12)19(23-17)13-1-4-15(21)5-2-13/h1-6,11-12,22-23H,7-10H2
InChIKeyYBLYHRZKZNVCOP-UHFFFAOYSA-N
MW328.82 g/mol
LogP5.09
Rot. Bonds2

About 5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole

5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole (PubChem CID 70095651) has the molecular formula C19H18ClFN2 and a molecular weight of 328.82 g/mol. Its IUPAC name is 5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole
PubChem CID70095651
Molecular FormulaC19H18ClFN2
Molecular Weight328.82 g/mol
Exact Mass328.11
IUPAC Name5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole
SMILESFc1ccc(-c2[nH]c3ccc(Cl)cc3c2C2CCNCC2)cc1
InChIInChI=1S/C19H18ClFN2/c20-14-3-6-17-16(11-14)18(12-7-9-22-10-8-12)19(23-17)13-1-4-15(21)5-2-13/h1-6,11-12,22-23H,7-10H2
InChIKeyYBLYHRZKZNVCOP-UHFFFAOYSA-N
XLogP5.09
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.82
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole?
The IUPAC name of 5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole (CID 70095651) is 5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole.
What is the SMILES notation for 5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole?
The canonical SMILES for 5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole is Fc1ccc(-c2[nH]c3ccc(Cl)cc3c2C2CCNCC2)cc1.
What is the InChIKey of 5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole?
The InChIKey is YBLYHRZKZNVCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2/c20-14-3-6-17-16(11-14)18(12-7-9-22-10-8-12)19(23-17)13-1-4-15(21)5-2-13/h1-6,11-12,22-23H,7-10H2.
What are the key properties of 5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole?
5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole has a molecular weight of 328.82 g/mol, XLogP of 5.09, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole is sourced from PubChem (CID 70095651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).