ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate

C22H22F3NO3 — CID 59493152

IUPACethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C22H22F3NO3/c1-2-29-20(27)14-9-11-26(12-10-14)15-7-8-17-16-5-3-4-6-18(16)21(28,19(17)13-15)22(23,24)25/h3-8,13-14,28H,2,9-12H2,1H3
InChIKeyPLHOPPBTVYGGST-UHFFFAOYSA-N
MW405.42 g/mol
LogP4.24
Rot. Bonds3

About ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate

ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate (PubChem CID 59493152) has the molecular formula C22H22F3NO3 and a molecular weight of 405.42 g/mol. Its IUPAC name is ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate
PubChem CID59493152
Molecular FormulaC22H22F3NO3
Molecular Weight405.42 g/mol
Exact Mass405.16
IUPAC Nameethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C22H22F3NO3/c1-2-29-20(27)14-9-11-26(12-10-14)15-7-8-17-16-5-3-4-6-18(16)21(28,19(17)13-15)22(23,24)25/h3-8,13-14,28H,2,9-12H2,1H3
InChIKeyPLHOPPBTVYGGST-UHFFFAOYSA-N
XLogP4.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
ethyl 1-(3-aminosulfanylphenyl)piperidine-4-carboxylate
CID 167520133
ethyl 5-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypentanoate
CID 59492500
ethyl 1-[3-(dimethylcarbamoyl)-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]phenyl]piperidine-4-carboxylate
CID 66677097
ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 17152941
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
CID 62492327
tert-butyl 2-[5-(4-ethoxycarbonylpiperidin-1-yl)-2-fluorophenyl]-5-methoxy-1,3-dihydrobenzimidazole-2-carboxylate
CID 67127806
ethyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981205
ethyl 1-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]piperidine-4-carboxylate
CID 169329409
ethyl (3S)-1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 59410086
ethyl 1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3-methoxyphenyl]piperidine-4-carboxylate
CID 167463395
ethyl 9-hydroxy-9-(trifluoromethyl)fluorene-4-carboxylate
CID 59493198

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate (CID 59493152) is ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1.
What is the InChIKey of ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate?
The InChIKey is PLHOPPBTVYGGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO3/c1-2-29-20(27)14-9-11-26(12-10-14)15-7-8-17-16-5-3-4-6-18(16)21(28,19(17)13-15)22(23,24)25/h3-8,13-14,28H,2,9-12H2,1H3.
What are the key properties of ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate?
ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate has a molecular weight of 405.42 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 59493152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).