9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate

C23H24ClNO3 — CID 166036291

IUPAC9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate
SMILESC=C(Cl)C[C@@H]1[C@H](O)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H24ClNO3/c1-15(24)13-21-22(26)11-6-12-25(21)23(27)28-14-20-18-9-4-2-7-16(18)17-8-3-5-10-19(17)20/h2-5,7-10,20-22,26H,1,6,11-14H2/t21-,22-/m1/s1
InChIKeyNEZQBPBCSXOFDT-FGZHOGPDSA-N
MW397.90 g/mol
LogP4.90
Rot. Bonds4

About 9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate

9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate (PubChem CID 166036291) has the molecular formula C23H24ClNO3 and a molecular weight of 397.90 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate
PubChem CID166036291
Molecular FormulaC23H24ClNO3
Molecular Weight397.90 g/mol
Exact Mass397.14
IUPAC Name9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate
SMILESC=C(Cl)C[C@@H]1[C@H](O)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H24ClNO3/c1-15(24)13-21-22(26)11-6-12-25(21)23(27)28-14-20-18-9-4-2-7-16(18)17-8-3-5-10-19(17)20/h2-5,7-10,20-22,26H,1,6,11-14H2/t21-,22-/m1/s1
InChIKeyNEZQBPBCSXOFDT-FGZHOGPDSA-N
XLogP4.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.90
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-fluoropyrrolidin-2-yl]acetic acid
CID 165452018
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 7023267
9H-fluoren-9-ylmethyl (2R)-2-(aminomethyl)piperidine-1-carboxylate
CID 7145106
2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate
CID 86295162
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
CID 178190927
9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride
CID 174709081
9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 63310302
9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate
CID 175704806

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate (CID 166036291) is 9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate is C=C(Cl)C[C@@H]1[C@H](O)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate?
The InChIKey is NEZQBPBCSXOFDT-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H24ClNO3/c1-15(24)13-21-22(26)11-6-12-25(21)23(27)28-14-20-18-9-4-2-7-16(18)17-8-3-5-10-19(17)20/h2-5,7-10,20-22,26H,1,6,11-14H2/t21-,22-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate?
9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate has a molecular weight of 397.90 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 166036291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).