5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole

C14H16F2N2 — CID 91174939

IUPAC5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole
SMILESCc1c(C2CCCNC2)[nH]c2cc(F)c(F)cc12
InChIInChI=1S/C14H16F2N2/c1-8-10-5-11(15)12(16)6-13(10)18-14(8)9-3-2-4-17-7-9/h5-6,9,17-18H,2-4,7H2,1H3
InChIKeyFELUNIVWADVLIK-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.22
Rot. Bonds1

About 5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole

5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole (PubChem CID 91174939) has the molecular formula C14H16F2N2 and a molecular weight of 250.29 g/mol. Its IUPAC name is 5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole.

Molecular Properties

Compound Name5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole
PubChem CID91174939
Molecular FormulaC14H16F2N2
Molecular Weight250.29 g/mol
Exact Mass250.13
IUPAC Name5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole
SMILESCc1c(C2CCCNC2)[nH]c2cc(F)c(F)cc12
InChIInChI=1S/C14H16F2N2/c1-8-10-5-11(15)12(16)6-13(10)18-14(8)9-3-2-4-17-7-9/h5-6,9,17-18H,2-4,7H2,1H3
InChIKeyFELUNIVWADVLIK-UHFFFAOYSA-N
XLogP3.22
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-4-fluoro-3-methyl-2-piperidin-3-yl-1H-indole
CID 67536330
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681
3-bromo-5-ethyl-2-piperidin-3-yl-1H-indole
CID 84644943
4,5-difluoro-2-piperidin-3-ylphenol
CID 84679573
3,4,7-trimethyl-2-piperidin-3-yl-1H-indole
CID 84630586
2-(2,6-dimethyl-4-pyridinyl)-3-methyl-6-piperidin-3-yl-1H-indole
CID 164553706
7-fluoro-1,3-dimethyl-2-piperidin-3-ylindole
CID 84632385
6-bromo-2-methyl-3-piperidin-3-yl-1H-indole
CID 84643993
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 125171992
3-(2,3-dimethyl-1-benzothiophen-6-yl)piperidine
CID 117366317
3-(2,3,4,5-tetrafluorophenyl)piperidine
CID 117116503
3,4,6-trimethyl-2-pyrrolidin-3-yl-1H-indole
CID 84625643

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole?
The IUPAC name of 5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole (CID 91174939) is 5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole.
What is the SMILES notation for 5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole?
The canonical SMILES for 5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole is Cc1c(C2CCCNC2)[nH]c2cc(F)c(F)cc12.
What is the InChIKey of 5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole?
The InChIKey is FELUNIVWADVLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2/c1-8-10-5-11(15)12(16)6-13(10)18-14(8)9-3-2-4-17-7-9/h5-6,9,17-18H,2-4,7H2,1H3.
What are the key properties of 5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole?
5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole has a molecular weight of 250.29 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-3-methyl-2-piperidin-3-yl-1H-indole is sourced from PubChem (CID 91174939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).