6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole

C15H21FN2 — CID 176570034

IUPAC6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole
SMILESCN1CC(C[C@H]2CCCNC2)c2ccc(F)cc21
InChIInChI=1S/C15H21FN2/c1-18-10-12(7-11-3-2-6-17-9-11)14-5-4-13(16)8-15(14)18/h4-5,8,11-12,17H,2-3,6-7,9-10H2,1H3/t11-,12?/m1/s1
InChIKeyRNYWUTWPHNRBDS-JHJMLUEUSA-N
MW248.34 g/mol
LogP2.75
Rot. Bonds2

About 6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole

6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole (PubChem CID 176570034) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole
PubChem CID176570034
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole
SMILESCN1CC(C[C@H]2CCCNC2)c2ccc(F)cc21
InChIInChI=1S/C15H21FN2/c1-18-10-12(7-11-3-2-6-17-9-11)14-5-4-13(16)8-15(14)18/h4-5,8,11-12,17H,2-3,6-7,9-10H2,1H3/t11-,12?/m1/s1
InChIKeyRNYWUTWPHNRBDS-JHJMLUEUSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-1-methyl-3-(piperidin-3-ylmethyl)indole
CID 84632394
6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole
CID 62689624
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632400
1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689623
5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632364
3-[2-(2,5-difluorophenyl)ethyl]piperidine
CID 62234772
(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
CID 92670023
(3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
CID 176570011
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone
CID 105497823
3-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831222

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole?
The IUPAC name of 6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole (CID 176570034) is 6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole.
What is the SMILES notation for 6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole?
The canonical SMILES for 6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole is CN1CC(C[C@H]2CCCNC2)c2ccc(F)cc21.
What is the InChIKey of 6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole?
The InChIKey is RNYWUTWPHNRBDS-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H21FN2/c1-18-10-12(7-11-3-2-6-17-9-11)14-5-4-13(16)8-15(14)18/h4-5,8,11-12,17H,2-3,6-7,9-10H2,1H3/t11-,12?/m1/s1.
What are the key properties of 6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole?
6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole has a molecular weight of 248.34 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-3-[[(3R)-piperidin-3-yl]methyl]-2,3-dihydroindole is sourced from PubChem (CID 176570034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).