2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole

C19H24F2N2 — CID 10853014

IUPAC2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole
SMILESFc1ccc2c([C@@H]3CNCC[C@H]3F)c(C3CCCCC3)[nH]c2c1
InChIInChI=1S/C19H24F2N2/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/h6-7,10,12,15-16,22-23H,1-5,8-9,11H2/t15-,16-/m1/s1
InChIKeyJQDBXOHJKFSLAO-HZPDHXFCSA-N
MW318.41 g/mol
LogP4.77
Rot. Bonds2

About 2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole

2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole (PubChem CID 10853014) has the molecular formula C19H24F2N2 and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole.

Molecular Properties

Compound Name2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole
PubChem CID10853014
Molecular FormulaC19H24F2N2
Molecular Weight318.41 g/mol
Exact Mass318.19
IUPAC Name2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole
SMILESFc1ccc2c([C@@H]3CNCC[C@H]3F)c(C3CCCCC3)[nH]c2c1
InChIInChI=1S/C19H24F2N2/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/h6-7,10,12,15-16,22-23H,1-5,8-9,11H2/t15-,16-/m1/s1
InChIKeyJQDBXOHJKFSLAO-HZPDHXFCSA-N
XLogP4.77
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole?
The IUPAC name of 2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole (CID 10853014) is 2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole.
What is the SMILES notation for 2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole?
The canonical SMILES for 2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole is Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(C3CCCCC3)[nH]c2c1.
What is the InChIKey of 2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole?
The InChIKey is JQDBXOHJKFSLAO-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H24F2N2/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/h6-7,10,12,15-16,22-23H,1-5,8-9,11H2/t15-,16-/m1/s1.
What are the key properties of 2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole?
2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole has a molecular weight of 318.41 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole is sourced from PubChem (CID 10853014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).