9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate

C22H24FNO3 — CID 175821641

IUPAC9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate
SMILESCC[C@@]1(F)CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[C@H]1O
InChIInChI=1S/C22H24FNO3/c1-2-22(23)14-24(12-11-20(22)25)21(26)27-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19-20,25H,2,11-14H2,1H3/t20-,22-/m1/s1
InChIKeyCRIVLOANEFRJOD-IFMALSPDSA-N
MW369.44 g/mol
LogP4.12
Rot. Bonds3

About 9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate

9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate (PubChem CID 175821641) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate
PubChem CID175821641
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate
SMILESCC[C@@]1(F)CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[C@H]1O
InChIInChI=1S/C22H24FNO3/c1-2-22(23)14-24(12-11-20(22)25)21(26)27-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19-20,25H,2,11-14H2,1H3/t20-,22-/m1/s1
InChIKeyCRIVLOANEFRJOD-IFMALSPDSA-N
XLogP4.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9H-fluoren-9-ylmethoxycarbonyl)-3,3-dimethylpiperidine-4-carboxylic acid
CID 167717175
9H-fluoren-9-ylmethyl 3-cyano-3-ethylpyrrolidine-1-carboxylate
CID 172529157
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 106837102
9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 76652146
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl 3-hydroxy-3-(methoxymethyl)azetidine-1-carboxylate
CID 130962442
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate (CID 175821641) is 9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate is CC[C@@]1(F)CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[C@H]1O.
What is the InChIKey of 9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate?
The InChIKey is CRIVLOANEFRJOD-IFMALSPDSA-N. The full InChI is InChI=1S/C22H24FNO3/c1-2-22(23)14-24(12-11-20(22)25)21(26)27-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19-20,25H,2,11-14H2,1H3/t20-,22-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate?
9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate has a molecular weight of 369.44 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (3R,4R)-3-ethyl-3-fluoro-4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 175821641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).