7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile

C19H25FN2O2 — CID 11588010

IUPAC7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile
SMILESCOc1c(C#N)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C19H25FN2O2/c1-18(2)10-14-15(20)9-12(11-21)17(24-4)16(14)19(18,23)13-5-7-22(3)8-6-13/h9,13,23H,5-8,10H2,1-4H3
InChIKeyCZUTUKHAXULYCS-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.82
Rot. Bonds2

About 7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile

7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile (PubChem CID 11588010) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile
PubChem CID11588010
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile
SMILESCOc1c(C#N)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2
InChIInChI=1S/C19H25FN2O2/c1-18(2)10-14-15(20)9-12(11-21)17(24-4)16(14)19(18,23)13-5-7-22(3)8-6-13/h9,13,23H,5-8,10H2,1-4H3
InChIKeyCZUTUKHAXULYCS-UHFFFAOYSA-N
XLogP2.82
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile?
The IUPAC name of 7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile (CID 11588010) is 7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile.
What is the SMILES notation for 7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile?
The canonical SMILES for 7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile is COc1c(C#N)cc(F)c2c1C(O)(C1CCN(C)CC1)C(C)(C)C2.
What is the InChIKey of 7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile?
The InChIKey is CZUTUKHAXULYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-18(2)10-14-15(20)9-12(11-21)17(24-4)16(14)19(18,23)13-5-7-22(3)8-6-13/h9,13,23H,5-8,10H2,1-4H3.
What are the key properties of 7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile?
7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile has a molecular weight of 332.42 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-hydroxy-4-methoxy-2,2-dimethyl-3-(1-methylpiperidin-4-yl)-1H-indene-5-carbonitrile is sourced from PubChem (CID 11588010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).