6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole

C14H16F2N2 — CID 90824185

IUPAC6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole
SMILESC[C@@H]1CCCCN1c1c[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C14H16F2N2/c1-9-4-2-3-7-18(9)12-8-17-14-10(12)5-6-11(15)13(14)16/h5-6,8-9,17H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyNDIUQAFKAIGVLA-SECBINFHSA-N
MW250.29 g/mol
LogP3.82
Rot. Bonds1

About 6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole

6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole (PubChem CID 90824185) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole.

Molecular Properties

Compound Name6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole
PubChem CID90824185
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Name6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole
SMILESC[C@@H]1CCCCN1c1c[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C14H16F2N2/c1-9-4-2-3-7-18(9)12-8-17-14-10(12)5-6-11(15)13(14)16/h5-6,8-9,17H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyNDIUQAFKAIGVLA-SECBINFHSA-N
XLogP3.82
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole?
The IUPAC name of 6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole (CID 90824185) is 6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole.
What is the SMILES notation for 6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole?
The canonical SMILES for 6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole is C[C@@H]1CCCCN1c1c[nH]c2c(F)c(F)ccc12.
What is the InChIKey of 6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole?
The InChIKey is NDIUQAFKAIGVLA-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F2N2/c1-9-4-2-3-7-18(9)12-8-17-14-10(12)5-6-11(15)13(14)16/h5-6,8-9,17H,2-4,7H2,1H3/t9-/m1/s1.
What are the key properties of 6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole?
6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole has a molecular weight of 250.29 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-[(2R)-2-methylpiperidin-1-yl]-1H-indole is sourced from PubChem (CID 90824185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).