9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate

C24H27NO4 — CID 72747808

IUPAC9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate
SMILESCC(=O)OCCC1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27NO4/c1-17(26)28-15-13-18-8-6-7-14-25(18)24(27)29-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-5,9-12,18,23H,6-8,13-16H2,1H3
InChIKeySROCIQBJVMGNTA-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.74
Rot. Bonds5

About 9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate

9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate (PubChem CID 72747808) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate
PubChem CID72747808
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate
SMILESCC(=O)OCCC1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H27NO4/c1-17(26)28-15-13-18-8-6-7-14-25(18)24(27)29-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-5,9-12,18,23H,6-8,13-16H2,1H3
InChIKeySROCIQBJVMGNTA-UHFFFAOYSA-N
XLogP4.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 63310302
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 7023267
9H-fluoren-9-ylmethyl (2R)-2-(aminomethyl)piperidine-1-carboxylate
CID 7145106
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate
CID 86295162
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
2-(9H-fluoren-9-yl)ethyl acetate
CID 134437630
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404
9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate
CID 175704806
2-[9H-fluoren-9-ylmethoxycarbonyl-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methyl]amino]acetic acid
CID 131676775
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate (CID 72747808) is 9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate is CC(=O)OCCC1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate?
The InChIKey is SROCIQBJVMGNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-17(26)28-15-13-18-8-6-7-14-25(18)24(27)29-16-23-21-11-4-2-9-19(21)20-10-3-5-12-22(20)23/h2-5,9-12,18,23H,6-8,13-16H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate?
9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate has a molecular weight of 393.48 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 72747808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).