1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one

C19H26FNO2 — CID 21461155

IUPAC1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cc2c(cc1F)CCC2C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C19H26FNO2/c1-12(2)19(22)21-8-6-13(7-9-21)15-5-4-14-10-17(20)18(23-3)11-16(14)15/h10-13,15H,4-9H2,1-3H3
InChIKeyXBPFAPSDJKOGNW-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.76
Rot. Bonds3

About 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one

1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 21461155) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID21461155
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCOc1cc2c(cc1F)CCC2C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C19H26FNO2/c1-12(2)19(22)21-8-6-13(7-9-21)15-5-4-14-10-17(20)18(23-3)11-16(14)15/h10-13,15H,4-9H2,1-3H3
InChIKeyXBPFAPSDJKOGNW-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one (CID 21461155) is 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one is COc1cc2c(cc1F)CCC2C1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is XBPFAPSDJKOGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-12(2)19(22)21-8-6-13(7-9-21)15-5-4-14-10-17(20)18(23-3)11-16(14)15/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one?
1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 319.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 21461155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).