9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate

C21H24N2O2 — CID 7023267

IUPAC9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
SMILESNC[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H24N2O2/c22-13-15-7-5-6-12-23(15)21(24)25-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20H,5-7,12-14,22H2/t15-/m0/s1
InChIKeyITGBZJASSQWWSB-HNNXBMFYSA-N
MW336.44 g/mol
LogP3.75
Rot. Bonds3

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

9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate (PubChem CID 7023267) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
PubChem CID7023267
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
SMILESNC[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H24N2O2/c22-13-15-7-5-6-12-23(15)21(24)25-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20H,5-7,12-14,22H2/t15-/m0/s1
InChIKeyITGBZJASSQWWSB-HNNXBMFYSA-N
XLogP3.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl (2R)-2-(aminomethyl)piperidine-1-carboxylate
CID 7145106
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 63310302
2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate
CID 86295162
9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate
CID 72747808
2-(aminomethyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167719994
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
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
phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 63765586
(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 (2S)-2-(aminomethyl)piperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate (CID 7023267) is 9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate is NC[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate?
The InChIKey is ITGBZJASSQWWSB-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2O2/c22-13-15-7-5-6-12-23(15)21(24)25-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20H,5-7,12-14,22H2/t15-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate?
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate has a molecular weight of 336.44 g/mol, XLogP of 3.75, 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 (2S)-2-(aminomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 7023267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).