3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole

C20H27FN2 — CID 144855128

IUPAC3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole
SMILESC=C(CC1CC1)N1CCC(C2=CNC3=CC(F)=CCC32C)CC1
InChIInChI=1S/C20H27FN2/c1-14(11-15-3-4-15)23-9-6-16(7-10-23)18-13-22-19-12-17(21)5-8-20(18,19)2/h5,12-13,15-16,22H,1,3-4,6-11H2,2H3
InChIKeySUKNXKXDMSGUAN-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.65
Rot. Bonds4

About 3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole

3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole (PubChem CID 144855128) has the molecular formula C20H27FN2 and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole.

Molecular Properties

Compound Name3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole
PubChem CID144855128
Molecular FormulaC20H27FN2
Molecular Weight314.45 g/mol
Exact Mass314.22
IUPAC Name3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole
SMILESC=C(CC1CC1)N1CCC(C2=CNC3=CC(F)=CCC32C)CC1
InChIInChI=1S/C20H27FN2/c1-14(11-15-3-4-15)23-9-6-16(7-10-23)18-13-22-19-12-17(21)5-8-20(18,19)2/h5,12-13,15-16,22H,1,3-4,6-11H2,2H3
InChIKeySUKNXKXDMSGUAN-UHFFFAOYSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole?
The IUPAC name of 3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole (CID 144855128) is 3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole.
What is the SMILES notation for 3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole?
The canonical SMILES for 3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole is C=C(CC1CC1)N1CCC(C2=CNC3=CC(F)=CCC32C)CC1.
What is the InChIKey of 3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole?
The InChIKey is SUKNXKXDMSGUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2/c1-14(11-15-3-4-15)23-9-6-16(7-10-23)18-13-22-19-12-17(21)5-8-20(18,19)2/h5,12-13,15-16,22H,1,3-4,6-11H2,2H3.
What are the key properties of 3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole?
3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole has a molecular weight of 314.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole is sourced from PubChem (CID 144855128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).