6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole

C19H26F2N2 — CID 146409781

IUPAC6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole
SMILESC=C(C)N1CCC(c2c[nH]c3c2=CCC(C)(C(C)(F)F)C=3)CC1
InChIInChI=1S/C19H26F2N2/c1-13(2)23-9-6-14(7-10-23)16-12-22-17-11-18(3,19(4,20)21)8-5-15(16)17/h5,11-12,14,22H,1,6-10H2,2-4H3
InChIKeyIOJMEPYDAVLOLF-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.35
Rot. Bonds3

About 6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole

6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole (PubChem CID 146409781) has the molecular formula C19H26F2N2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole
PubChem CID146409781
Molecular FormulaC19H26F2N2
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole
SMILESC=C(C)N1CCC(c2c[nH]c3c2=CCC(C)(C(C)(F)F)C=3)CC1
InChIInChI=1S/C19H26F2N2/c1-13(2)23-9-6-14(7-10-23)16-12-22-17-11-18(3,19(4,20)21)8-5-15(16)17/h5,11-12,14,22H,1,6-10H2,2-4H3
InChIKeyIOJMEPYDAVLOLF-UHFFFAOYSA-N
XLogP3.35
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole?
The IUPAC name of 6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole (CID 146409781) is 6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole.
What is the SMILES notation for 6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole?
The canonical SMILES for 6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole is C=C(C)N1CCC(c2c[nH]c3c2=CCC(C)(C(C)(F)F)C=3)CC1.
What is the InChIKey of 6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole?
The InChIKey is IOJMEPYDAVLOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2/c1-13(2)23-9-6-14(7-10-23)16-12-22-17-11-18(3,19(4,20)21)8-5-15(16)17/h5,11-12,14,22H,1,6-10H2,2-4H3.
What are the key properties of 6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole?
6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole has a molecular weight of 320.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole is sourced from PubChem (CID 146409781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).