5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole

C19H18ClFN2 — CID 10711404

IUPAC5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole
SMILESF[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H18ClFN2/c20-13-6-7-17-14(10-13)18(15-11-22-9-8-16(15)21)19(23-17)12-4-2-1-3-5-12/h1-7,10,15-16,22-23H,8-9,11H2/t15-,16-/m1/s1
InChIKeyPAVYFSUMGRBRPZ-HZPDHXFCSA-N
MW328.82 g/mol
LogP4.90
Rot. Bonds2

About 5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole

5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole (PubChem CID 10711404) has the molecular formula C19H18ClFN2 and a molecular weight of 328.82 g/mol. Its IUPAC name is 5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole
PubChem CID10711404
Molecular FormulaC19H18ClFN2
Molecular Weight328.82 g/mol
Exact Mass328.11
IUPAC Name5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole
SMILESF[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H18ClFN2/c20-13-6-7-17-14(10-13)18(15-11-22-9-8-16(15)21)19(23-17)12-4-2-1-3-5-12/h1-7,10,15-16,22-23H,8-9,11H2/t15-,16-/m1/s1
InChIKeyPAVYFSUMGRBRPZ-HZPDHXFCSA-N
XLogP4.90
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole?
The IUPAC name of 5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole (CID 10711404) is 5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole.
What is the SMILES notation for 5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole?
The canonical SMILES for 5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole is F[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole?
The InChIKey is PAVYFSUMGRBRPZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H18ClFN2/c20-13-6-7-17-14(10-13)18(15-11-22-9-8-16(15)21)19(23-17)12-4-2-1-3-5-12/h1-7,10,15-16,22-23H,8-9,11H2/t15-,16-/m1/s1.
What are the key properties of 5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole?
5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole has a molecular weight of 328.82 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole is sourced from PubChem (CID 10711404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).