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

C19H18ClFN2 — CID 10640055

IUPAC7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole
SMILESF[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C19H18ClFN2/c20-15-8-4-7-13-17(14-11-22-10-9-16(14)21)18(23-19(13)15)12-5-2-1-3-6-12/h1-8,14,16,22-23H,9-11H2/t14-,16-/m1/s1
InChIKeyBTWSXWRYWXPDBK-GDBMZVCRSA-N
MW328.82 g/mol
LogP4.90
Rot. Bonds2

About 7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole

7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole (PubChem CID 10640055) has the molecular formula C19H18ClFN2 and a molecular weight of 328.82 g/mol. Its IUPAC name is 7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole
PubChem CID10640055
Molecular FormulaC19H18ClFN2
Molecular Weight328.82 g/mol
Exact Mass328.11
IUPAC Name7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole
SMILESF[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2c(Cl)cccc12
InChIInChI=1S/C19H18ClFN2/c20-15-8-4-7-13-17(14-11-22-10-9-16(14)21)18(23-19(13)15)12-5-2-1-3-6-12/h1-8,14,16,22-23H,9-11H2/t14-,16-/m1/s1
InChIKeyBTWSXWRYWXPDBK-GDBMZVCRSA-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 7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole?
The IUPAC name of 7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole (CID 10640055) is 7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole.
What is the SMILES notation for 7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole?
The canonical SMILES for 7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole is F[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole?
The InChIKey is BTWSXWRYWXPDBK-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H18ClFN2/c20-15-8-4-7-13-17(14-11-22-10-9-16(14)21)18(23-19(13)15)12-5-2-1-3-6-12/h1-8,14,16,22-23H,9-11H2/t14-,16-/m1/s1.
What are the key properties of 7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole?
7-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 7-chloro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole is sourced from PubChem (CID 10640055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).