3-chloro-6-fluoro-9-piperidin-4-ylcarbazole

C17H16ClFN2 — CID 137447183

IUPAC3-chloro-6-fluoro-9-piperidin-4-ylcarbazole
SMILESFc1ccc2c(c1)c1cc(Cl)ccc1n2C1CCNCC1
InChIInChI=1S/C17H16ClFN2/c18-11-1-3-16-14(9-11)15-10-12(19)2-4-17(15)21(16)13-5-7-20-8-6-13/h1-4,9-10,13,20H,5-8H2
InChIKeyOCEQAZRNTKHKKV-UHFFFAOYSA-N
MW302.78 g/mol
LogP4.51
Rot. Bonds1

About 3-chloro-6-fluoro-9-piperidin-4-ylcarbazole

3-chloro-6-fluoro-9-piperidin-4-ylcarbazole (PubChem CID 137447183) has the molecular formula C17H16ClFN2 and a molecular weight of 302.78 g/mol. Its IUPAC name is 3-chloro-6-fluoro-9-piperidin-4-ylcarbazole.

Molecular Properties

Compound Name3-chloro-6-fluoro-9-piperidin-4-ylcarbazole
PubChem CID137447183
Molecular FormulaC17H16ClFN2
Molecular Weight302.78 g/mol
Exact Mass302.10
IUPAC Name3-chloro-6-fluoro-9-piperidin-4-ylcarbazole
SMILESFc1ccc2c(c1)c1cc(Cl)ccc1n2C1CCNCC1
InChIInChI=1S/C17H16ClFN2/c18-11-1-3-16-14(9-11)15-10-12(19)2-4-17(15)21(16)13-5-7-20-8-6-13/h1-4,9-10,13,20H,5-8H2
InChIKeyOCEQAZRNTKHKKV-UHFFFAOYSA-N
XLogP4.51
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-9-piperidin-4-ylcarbazole?
The IUPAC name of 3-chloro-6-fluoro-9-piperidin-4-ylcarbazole (CID 137447183) is 3-chloro-6-fluoro-9-piperidin-4-ylcarbazole.
What is the SMILES notation for 3-chloro-6-fluoro-9-piperidin-4-ylcarbazole?
The canonical SMILES for 3-chloro-6-fluoro-9-piperidin-4-ylcarbazole is Fc1ccc2c(c1)c1cc(Cl)ccc1n2C1CCNCC1.
What is the InChIKey of 3-chloro-6-fluoro-9-piperidin-4-ylcarbazole?
The InChIKey is OCEQAZRNTKHKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2/c18-11-1-3-16-14(9-11)15-10-12(19)2-4-17(15)21(16)13-5-7-20-8-6-13/h1-4,9-10,13,20H,5-8H2.
What are the key properties of 3-chloro-6-fluoro-9-piperidin-4-ylcarbazole?
3-chloro-6-fluoro-9-piperidin-4-ylcarbazole has a molecular weight of 302.78 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-9-piperidin-4-ylcarbazole is sourced from PubChem (CID 137447183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).