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

C19H27F2NO — CID 58951011

IUPAC7-ethyl-4,6-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCCc1c(F)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C19H27F2NO/c1-5-13-15(20)10-16(21)14-11-18(2,3)19(23,17(13)14)12-6-8-22(4)9-7-12/h10,12,23H,5-9,11H2,1-4H3
InChIKeyBJXUSMJMRVQOBV-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.64
Rot. Bonds2

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

7-ethyl-4,6-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 58951011) has the molecular formula C19H27F2NO and a molecular weight of 323.43 g/mol. Its IUPAC name is 7-ethyl-4,6-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name7-ethyl-4,6-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID58951011
Molecular FormulaC19H27F2NO
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name7-ethyl-4,6-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESCCc1c(F)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C19H27F2NO/c1-5-13-15(20)10-16(21)14-11-18(2,3)19(23,17(13)14)12-6-8-22(4)9-7-12/h10,12,23H,5-9,11H2,1-4H3
InChIKeyBJXUSMJMRVQOBV-UHFFFAOYSA-N
XLogP3.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4,6-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 7-ethyl-4,6-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 58951011) is 7-ethyl-4,6-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 7-ethyl-4,6-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 7-ethyl-4,6-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is CCc1c(F)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2.
What is the InChIKey of 7-ethyl-4,6-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is BJXUSMJMRVQOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2NO/c1-5-13-15(20)10-16(21)14-11-18(2,3)19(23,17(13)14)12-6-8-22(4)9-7-12/h10,12,23H,5-9,11H2,1-4H3.
What are the key properties of 7-ethyl-4,6-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
7-ethyl-4,6-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 323.43 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4,6-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 58951011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).