6-chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole

C19H18ClFN2 — CID 54016542

IUPAC6-chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole
SMILESFC1CCNCC1c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C19H18ClFN2/c20-13-6-7-14-17(10-13)23-19(12-4-2-1-3-5-12)18(14)15-11-22-9-8-16(15)21/h1-7,10,15-16,22-23H,8-9,11H2
InChIKeyKVZUKTSYJONTHS-UHFFFAOYSA-N
MW328.82 g/mol
LogP4.90
Rot. Bonds2

About 6-chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole

6-chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole (PubChem CID 54016542) has the molecular formula C19H18ClFN2 and a molecular weight of 328.82 g/mol. Its IUPAC name is 6-chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole.

Molecular Properties

Compound Name6-chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole
PubChem CID54016542
Molecular FormulaC19H18ClFN2
Molecular Weight328.82 g/mol
Exact Mass328.11
IUPAC Name6-chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole
SMILESFC1CCNCC1c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C19H18ClFN2/c20-13-6-7-14-17(10-13)23-19(12-4-2-1-3-5-12)18(14)15-11-22-9-8-16(15)21/h1-7,10,15-16,22-23H,8-9,11H2
InChIKeyKVZUKTSYJONTHS-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole?
The IUPAC name of 6-chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole (CID 54016542) is 6-chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole.
What is the SMILES notation for 6-chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole?
The canonical SMILES for 6-chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole is FC1CCNCC1c1c(-c2ccccc2)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole?
The InChIKey is KVZUKTSYJONTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2/c20-13-6-7-14-17(10-13)23-19(12-4-2-1-3-5-12)18(14)15-11-22-9-8-16(15)21/h1-7,10,15-16,22-23H,8-9,11H2.
What are the key properties of 6-chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole?
6-chloro-3-(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 6-chloro-3-(4-fluoropiperidin-3-yl)-2-phenyl-1H-indole is sourced from PubChem (CID 54016542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).