7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole

C13H14ClFN2 — CID 67535322

IUPAC7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole
SMILESFc1ccc(Cl)c2[nH]c(C3CCCNC3)cc12
InChIInChI=1S/C13H14ClFN2/c14-10-3-4-11(15)9-6-12(17-13(9)10)8-2-1-5-16-7-8/h3-4,6,8,16-17H,1-2,5,7H2
InChIKeyLQDZLXAJABZWQU-UHFFFAOYSA-N
MW252.72 g/mol
LogP3.43
Rot. Bonds1

About 7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole

7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole (PubChem CID 67535322) has the molecular formula C13H14ClFN2 and a molecular weight of 252.72 g/mol. Its IUPAC name is 7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole.

Molecular Properties

Compound Name7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole
PubChem CID67535322
Molecular FormulaC13H14ClFN2
Molecular Weight252.72 g/mol
Exact Mass252.08
IUPAC Name7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole
SMILESFc1ccc(Cl)c2[nH]c(C3CCCNC3)cc12
InChIInChI=1S/C13H14ClFN2/c14-10-3-4-11(15)9-6-12(17-13(9)10)8-2-1-5-16-7-8/h3-4,6,8,16-17H,1-2,5,7H2
InChIKeyLQDZLXAJABZWQU-UHFFFAOYSA-N
XLogP3.43
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole?
The IUPAC name of 7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole (CID 67535322) is 7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole.
What is the SMILES notation for 7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole?
The canonical SMILES for 7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole is Fc1ccc(Cl)c2[nH]c(C3CCCNC3)cc12.
What is the InChIKey of 7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole?
The InChIKey is LQDZLXAJABZWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2/c14-10-3-4-11(15)9-6-12(17-13(9)10)8-2-1-5-16-7-8/h3-4,6,8,16-17H,1-2,5,7H2.
What are the key properties of 7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole?
7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole has a molecular weight of 252.72 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-fluoro-2-piperidin-3-yl-1H-indole is sourced from PubChem (CID 67535322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).