4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol

C21H26FNO — CID 58950900

IUPAC4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol
SMILESCN1CCC(C2(O)c3c(c(F)cc4ccccc34)CC2(C)C)CC1
InChIInChI=1S/C21H26FNO/c1-20(2)13-17-18(22)12-14-6-4-5-7-16(14)19(17)21(20,24)15-8-10-23(3)11-9-15/h4-7,12,15,24H,8-11,13H2,1-3H3
InChIKeyXGBGTHTWHIXRQY-UHFFFAOYSA-N
MW327.44 g/mol
LogP4.09
Rot. Bonds1

About 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol

4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol (PubChem CID 58950900) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol.

Molecular Properties

Compound Name4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol
PubChem CID58950900
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol
SMILESCN1CCC(C2(O)c3c(c(F)cc4ccccc34)CC2(C)C)CC1
InChIInChI=1S/C21H26FNO/c1-20(2)13-17-18(22)12-14-6-4-5-7-16(14)19(17)21(20,24)15-8-10-23(3)11-9-15/h4-7,12,15,24H,8-11,13H2,1-3H3
InChIKeyXGBGTHTWHIXRQY-UHFFFAOYSA-N
XLogP4.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol?
The IUPAC name of 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol (CID 58950900) is 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol.
What is the SMILES notation for 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol?
The canonical SMILES for 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol is CN1CCC(C2(O)c3c(c(F)cc4ccccc34)CC2(C)C)CC1.
What is the InChIKey of 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol?
The InChIKey is XGBGTHTWHIXRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c1-20(2)13-17-18(22)12-14-6-4-5-7-16(14)19(17)21(20,24)15-8-10-23(3)11-9-15/h4-7,12,15,24H,8-11,13H2,1-3H3.
What are the key properties of 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol?
4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol has a molecular weight of 327.44 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-cyclopenta[a]naphthalen-1-ol is sourced from PubChem (CID 58950900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).