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

C19H19FN2 — CID 10708935

IUPAC3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole
SMILESF[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C19H19FN2/c20-16-10-11-21-12-15(16)18-14-8-4-5-9-17(14)22-19(18)13-6-2-1-3-7-13/h1-9,15-16,21-22H,10-12H2/t15-,16-/m1/s1
InChIKeyQAMSRCBRYCCTDQ-HZPDHXFCSA-N
MW294.37 g/mol
LogP4.25
Rot. Bonds2

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

3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole (PubChem CID 10708935) has the molecular formula C19H19FN2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole
PubChem CID10708935
Molecular FormulaC19H19FN2
Molecular Weight294.37 g/mol
Exact Mass294.15
IUPAC Name3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole
SMILESF[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C19H19FN2/c20-16-10-11-21-12-15(16)18-14-8-4-5-9-17(14)22-19(18)13-6-2-1-3-7-13/h1-9,15-16,21-22H,10-12H2/t15-,16-/m1/s1
InChIKeyQAMSRCBRYCCTDQ-HZPDHXFCSA-N
XLogP4.25
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole?
The IUPAC name of 3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole (CID 10708935) is 3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole.
What is the SMILES notation for 3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole?
The canonical SMILES for 3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole is F[C@@H]1CCNC[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole?
The InChIKey is QAMSRCBRYCCTDQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H19FN2/c20-16-10-11-21-12-15(16)18-14-8-4-5-9-17(14)22-19(18)13-6-2-1-3-7-13/h1-9,15-16,21-22H,10-12H2/t15-,16-/m1/s1.
What are the key properties of 3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole?
3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole has a molecular weight of 294.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-phenyl-1H-indole is sourced from PubChem (CID 10708935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).