4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one

C25H29F3N2O3 — CID 10204963

IUPAC4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one
SMILESO=C1c2ccccc2-c2c(OC[C@@H](O)CNCC3CCN(CCC(F)(F)F)CC3)cccc21
InChIInChI=1S/C25H29F3N2O3/c26-25(27,28)10-13-30-11-8-17(9-12-30)14-29-15-18(31)16-33-22-7-3-6-21-23(22)19-4-1-2-5-20(19)24(21)32/h1-7,17-18,29,31H,8-16H2/t18-/m0/s1
InChIKeyOLMSGRWTHOKBQX-SFHVURJKSA-N
MW462.51 g/mol
LogP3.89
Rot. Bonds9

About 4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one

4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one (PubChem CID 10204963) has the molecular formula C25H29F3N2O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is 4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one.

Molecular Properties

Compound Name4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one
PubChem CID10204963
Molecular FormulaC25H29F3N2O3
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC Name4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one
SMILESO=C1c2ccccc2-c2c(OC[C@@H](O)CNCC3CCN(CCC(F)(F)F)CC3)cccc21
InChIInChI=1S/C25H29F3N2O3/c26-25(27,28)10-13-30-11-8-17(9-12-30)14-29-15-18(31)16-33-22-7-3-6-21-23(22)19-4-1-2-5-20(19)24(21)32/h1-7,17-18,29,31H,8-16H2/t18-/m0/s1
InChIKeyOLMSGRWTHOKBQX-SFHVURJKSA-N
XLogP3.89
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one?
The IUPAC name of 4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one (CID 10204963) is 4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one.
What is the SMILES notation for 4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one?
The canonical SMILES for 4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one is O=C1c2ccccc2-c2c(OC[C@@H](O)CNCC3CCN(CCC(F)(F)F)CC3)cccc21.
What is the InChIKey of 4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one?
The InChIKey is OLMSGRWTHOKBQX-SFHVURJKSA-N. The full InChI is InChI=1S/C25H29F3N2O3/c26-25(27,28)10-13-30-11-8-17(9-12-30)14-29-15-18(31)16-33-22-7-3-6-21-23(22)19-4-1-2-5-20(19)24(21)32/h1-7,17-18,29,31H,8-16H2/t18-/m0/s1.
What are the key properties of 4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one?
4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one has a molecular weight of 462.51 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-hydroxy-3-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methylamino]propoxy]fluoren-9-one is sourced from PubChem (CID 10204963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).