4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol

C19H28FNO3 — CID 11566246

IUPAC4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCOc1cc(F)c2c(c1OC)C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C19H28FNO3/c1-18(2)11-13-14(20)10-15(23-4)17(24-5)16(13)19(18,22)12-6-8-21(3)9-7-12/h10,12,22H,6-9,11H2,1-5H3
InChIKeyOCIKCOSMQWGBAR-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.95
Rot. Bonds3

About 4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol

4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 11566246) has the molecular formula C19H28FNO3 and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID11566246
Molecular FormulaC19H28FNO3
Molecular Weight337.44 g/mol
Exact Mass337.21
IUPAC Name4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCOc1cc(F)c2c(c1OC)C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C19H28FNO3/c1-18(2)11-13-14(20)10-15(23-4)17(24-5)16(13)19(18,22)12-6-8-21(3)9-7-12/h10,12,22H,6-9,11H2,1-5H3
InChIKeyOCIKCOSMQWGBAR-UHFFFAOYSA-N
XLogP2.95
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 11566246) is 4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is COc1cc(F)c2c(c1OC)C(O)(C1CCN(C)CC1)C(C)(C)C2.
What is the InChIKey of 4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is OCIKCOSMQWGBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNO3/c1-18(2)11-13-14(20)10-15(23-4)17(24-5)16(13)19(18,22)12-6-8-21(3)9-7-12/h10,12,22H,6-9,11H2,1-5H3.
What are the key properties of 4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 337.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6,7-dimethoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 11566246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).