3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol

C24H29FN2O — CID 23377491

IUPAC3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol
SMILESOC1CCc2ccc3c(c21)CCN3C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C24H29FN2O/c25-19-5-1-17(2-6-19)9-13-26-14-10-20(11-15-26)27-16-12-21-22(27)7-3-18-4-8-23(28)24(18)21/h1-3,5-7,20,23,28H,4,8-16H2
InChIKeyNBASBIQKZPRWOS-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.87
Rot. Bonds4

About 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol

3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol (PubChem CID 23377491) has the molecular formula C24H29FN2O and a molecular weight of 380.51 g/mol. Its IUPAC name is 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol.

Molecular Properties

Compound Name3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol
PubChem CID23377491
Molecular FormulaC24H29FN2O
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol
SMILESOC1CCc2ccc3c(c21)CCN3C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C24H29FN2O/c25-19-5-1-17(2-6-19)9-13-26-14-10-20(11-15-26)27-16-12-21-22(27)7-3-18-4-8-23(28)24(18)21/h1-3,5-7,20,23,28H,4,8-16H2
InChIKeyNBASBIQKZPRWOS-UHFFFAOYSA-N
XLogP3.87
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol with MolForge

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Related Compounds

4-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 12666047
(1R)-4-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 12666048
4-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-phenylbutan-1-ol
CID 44306179
2-Diethylamino-9-fluorenol
CID 224125
(1R)-4-[(4aS,9bS)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 12666052
4-[(4aS,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 12666053
4-[(4aS,9bR)-5-phenyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 13014402
4-[(4aR,9bR)-8-fluoro-5-phenyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 44306063
4-[(4aR,9bR)-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 44306193
4-[(4aS)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 44384845
4-[(4aR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 44385585
1-(2,3-dihydro-1H-indol-5-yl)-2-[4-(2,3-dimethylphenyl)piperazino]-1-ethanol
CID 20866295

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol?
The IUPAC name of 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol (CID 23377491) is 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol.
What is the SMILES notation for 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol?
The canonical SMILES for 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol is OC1CCc2ccc3c(c21)CCN3C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol?
The InChIKey is NBASBIQKZPRWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O/c25-19-5-1-17(2-6-19)9-13-26-14-10-20(11-15-26)27-16-12-21-22(27)7-3-18-4-8-23(28)24(18)21/h1-3,5-7,20,23,28H,4,8-16H2.
What are the key properties of 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol?
3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol has a molecular weight of 380.51 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,6,7,8-tetrahydro-1H-cyclopenta[e]indol-8-ol is sourced from PubChem (CID 23377491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).