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

C19H28FNO2 — CID 11537074

IUPAC7-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCCOc1c(F)ccc2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C19H28FNO2/c1-5-23-17-15(20)7-6-13-12-18(2,3)19(22,16(13)17)14-8-10-21(4)11-9-14/h6-7,14,22H,5,8-12H2,1-4H3
InChIKeyCZCJGUQQVDPNDQ-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.34
Rot. Bonds3

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

7-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 11537074) has the molecular formula C19H28FNO2 and a molecular weight of 321.44 g/mol. Its IUPAC name is 7-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name7-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID11537074
Molecular FormulaC19H28FNO2
Molecular Weight321.44 g/mol
Exact Mass321.21
IUPAC Name7-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCCOc1c(F)ccc2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C19H28FNO2/c1-5-23-17-15(20)7-6-13-12-18(2,3)19(22,16(13)17)14-8-10-21(4)11-9-14/h6-7,14,22H,5,8-12H2,1-4H3
InChIKeyCZCJGUQQVDPNDQ-UHFFFAOYSA-N
XLogP3.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 7-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 11537074) is 7-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 7-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 7-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is CCOc1c(F)ccc2c1C(O)(C1CCN(C)CC1)C(C)(C)C2.
What is the InChIKey of 7-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is CZCJGUQQVDPNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNO2/c1-5-23-17-15(20)7-6-13-12-18(2,3)19(22,16(13)17)14-8-10-21(4)11-9-14/h6-7,14,22H,5,8-12H2,1-4H3.
What are the key properties of 7-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
7-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 321.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 11537074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).