1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol

C21H26FNO — CID 22005150

IUPAC1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1C(C)O)CCC2(C)C
InChIInChI=1S/C21H26FNO/c1-12(2)19-17(13(3)24)18(14-6-8-15(22)9-7-14)16-10-11-21(4,5)20(16)23-19/h6-9,12-13,24H,10-11H2,1-5H3
InChIKeyZHBQCUKDKCHCMW-UHFFFAOYSA-N
MW327.44 g/mol
LogP5.29
Rot. Bonds3

About 1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol

1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol (PubChem CID 22005150) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol
PubChem CID22005150
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1C(C)O)CCC2(C)C
InChIInChI=1S/C21H26FNO/c1-12(2)19-17(13(3)24)18(14-6-8-15(22)9-7-14)16-10-11-21(4,5)20(16)23-19/h6-9,12-13,24H,10-11H2,1-5H3
InChIKeyZHBQCUKDKCHCMW-UHFFFAOYSA-N
XLogP5.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-8,8-dimethyl-2-propan-2-yl-6,7-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
CID 89099570
2-[4-(4-fluorophenyl)-8,8-dimethyl-6-(4-phenylphenyl)-2-propan-2-yl-5,7-dihydro-1,6-naphthyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 71711817
benzyl 4-(4-fluorophenyl)-3-formyl-8,8-dimethyl-2-propan-2-yl-5,7-dihydro-1,6-naphthyridine-6-carboxylate
CID 89099571
7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 116533513
[4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005217
2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol
CID 135819157
[4-(4-fluorophenyl)-5-methoxy-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 53407193
lithium;alumane;ethyl 11-(4-fluorophenyl)-2,2-dimethyl-13-propan-2-yl-3,4,5,6,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),4,6,10,12-pentaene-12-carboxylate;[11-(4-fluorophenyl)-2,2-dimethyl-13-propan-2-yl-3,4,5,6,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),4,6,10,12-pentaen-12-yl]methanol;hydride
CID 162203732
4-(4-fluorophenyl)-9,9-dimethyl-3-[(E)-3-methylbut-1-enyl]-2-propan-2-ylindeno[2,1-b]pyridine
CID 21357595
methyl 4-(4-fluorophenyl)-7-oxo-2-propan-2-yl-6,8-dihydro-5H-1,8-naphthyridine-3-carboxylate;methyl 4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridine-3-carboxylate
CID 160798702
[2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidin-5-yl]methanol
CID 44595748
(E)-3-[4-(4-fluorophenyl)-5-[(E)-3-oxoprop-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]prop-2-enal
CID 15924228

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol?
The IUPAC name of 1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol (CID 22005150) is 1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol?
The canonical SMILES for 1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol is CC(C)c1nc2c(c(-c3ccc(F)cc3)c1C(C)O)CCC2(C)C.
What is the InChIKey of 1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol?
The InChIKey is ZHBQCUKDKCHCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c1-12(2)19-17(13(3)24)18(14-6-8-15(22)9-7-14)16-10-11-21(4,5)20(16)23-19/h6-9,12-13,24H,10-11H2,1-5H3.
What are the key properties of 1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol?
1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol has a molecular weight of 327.44 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-7,7-dimethyl-2-propan-2-yl-5,6-dihydrocyclopenta[b]pyridin-3-yl]ethanol is sourced from PubChem (CID 22005150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).