5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole

C15H21FN2 — CID 70921115

IUPAC5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole
SMILESCN1CCC(CC2=CNC3C=CC(F)=CC23)CC1
InChIInChI=1S/C15H21FN2/c1-18-6-4-11(5-7-18)8-12-10-17-15-3-2-13(16)9-14(12)15/h2-3,9-11,14-15,17H,4-8H2,1H3
InChIKeySZMIZYSIWMPRQH-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.61
Rot. Bonds2

About 5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole

5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole (PubChem CID 70921115) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole
PubChem CID70921115
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole
SMILESCN1CCC(CC2=CNC3C=CC(F)=CC23)CC1
InChIInChI=1S/C15H21FN2/c1-18-6-4-11(5-7-18)8-12-10-17-15-3-2-13(16)9-14(12)15/h2-3,9-11,14-15,17H,4-8H2,1H3
InChIKeySZMIZYSIWMPRQH-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole?
The IUPAC name of 5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole (CID 70921115) is 5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole.
What is the SMILES notation for 5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole?
The canonical SMILES for 5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole is CN1CCC(CC2=CNC3C=CC(F)=CC23)CC1.
What is the InChIKey of 5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole?
The InChIKey is SZMIZYSIWMPRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-18-6-4-11(5-7-18)8-12-10-17-15-3-2-13(16)9-14(12)15/h2-3,9-11,14-15,17H,4-8H2,1H3.
What are the key properties of 5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole?
5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole has a molecular weight of 248.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole is sourced from PubChem (CID 70921115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).