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

C19H26FNO — CID 58951028

IUPAC7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESC=Cc1ccc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C19H26FNO/c1-5-13-6-7-16(20)15-12-18(2,3)19(22,17(13)15)14-8-10-21(4)11-9-14/h5-7,14,22H,1,8-12H2,2-4H3
InChIKeyJBDCOBBZRKFAHH-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.58
Rot. Bonds2

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

7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (PubChem CID 58951028) has the molecular formula C19H26FNO and a molecular weight of 303.42 g/mol. Its IUPAC name is 7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.

Molecular Properties

Compound Name7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
PubChem CID58951028
Molecular FormulaC19H26FNO
Molecular Weight303.42 g/mol
Exact Mass303.20
IUPAC Name7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
SMILESC=Cc1ccc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C19H26FNO/c1-5-13-6-7-16(20)15-12-18(2,3)19(22,17(13)15)14-8-10-21(4)11-9-14/h5-7,14,22H,1,8-12H2,2-4H3
InChIKeyJBDCOBBZRKFAHH-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-difluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951140
but-2-enedioic acid;7-fluoro-3-hydroxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-4-carbonitrile
CID 69350206
7'-ethenyl-4'-fluoro-1'-hydroxy-2',2'-dimethyl-1'-(1-methylpiperidin-4-yl)spiro[1,3-dioxepine-2,3'-indene]-4,7-dione
CID 140519036
4,6-difluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951210
8-bromo-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
CID 58950910
4-fluoro-6-isocyano-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951142
6-(chloromethyl)-4-fluoro-7-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol;hydrochloride
CID 69350618
7-fluoro-6-methoxy-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58951058
4-bromo-6-fluoro-2,2,5-trimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 58950909
7-ethyl-5-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 69351084
3-bromo-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 141136634
4-[[4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-7-phenyl-3H-inden-1-yl]oxy]-4-oxobut-2-enoic acid
CID 91367169

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The IUPAC name of 7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol (CID 58951028) is 7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol.
What is the SMILES notation for 7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The canonical SMILES for 7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is C=Cc1ccc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2.
What is the InChIKey of 7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
The InChIKey is JBDCOBBZRKFAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO/c1-5-13-6-7-16(20)15-12-18(2,3)19(22,17(13)15)14-8-10-21(4)11-9-14/h5-7,14,22H,1,8-12H2,2-4H3.
What are the key properties of 7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol?
7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol has a molecular weight of 303.42 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol is sourced from PubChem (CID 58951028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).