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

C22H25NO3 — CID 63310302

IUPAC9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCCCC1CCO
InChIInChI=1S/C22H25NO3/c24-14-12-16-7-5-6-13-23(16)22(25)26-15-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,16,21,24H,5-7,12-15H2
InChIKeyQLJZHVTVXRVZGI-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.17
Rot. Bonds4

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

9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 63310302) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
PubChem CID63310302
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCCCC1CCO
InChIInChI=1S/C22H25NO3/c24-14-12-16-7-5-6-13-23(16)22(25)26-15-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,16,21,24H,5-7,12-15H2
InChIKeyQLJZHVTVXRVZGI-UHFFFAOYSA-N
XLogP4.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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 2-(2-acetyloxyethyl)piperidine-1-carboxylate
CID 72747808
2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate
CID 86295162
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
2-(aminomethyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167719994
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid
CID 170883267
2-[9H-fluoren-9-ylmethoxycarbonyl-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methyl]amino]acetic acid
CID 131676775
9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate
CID 175704806
6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
CID 165476462
(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-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate (CID 63310302) is 9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1CCCCC1CCO.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is QLJZHVTVXRVZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c24-14-12-16-7-5-6-13-23(16)22(25)26-15-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-4,8-11,16,21,24H,5-7,12-15H2.
What are the key properties of 9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate?
9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 4.17, 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 2-(2-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 63310302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).