2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate

C22H22NO4- — CID 86295162

IUPAC2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate
SMILESO=C([O-])C[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H23NO4/c24-21(25)13-15-7-5-6-12-23(15)22(26)27-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20H,5-7,12-14H2,(H,24,25)/p-1/t15-/m0/s1
InChIKeyYVHXTQQJFAOBCJ-HNNXBMFYSA-M
MW364.42 g/mol
LogP2.93
Rot. Bonds4

About 2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate

2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate (PubChem CID 86295162) has the molecular formula C22H22NO4- and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Name2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate
PubChem CID86295162
Molecular FormulaC22H22NO4-
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate
SMILESO=C([O-])C[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H23NO4/c24-21(25)13-15-7-5-6-12-23(15)22(26)27-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20H,5-7,12-14H2,(H,24,25)/p-1/t15-/m0/s1
InChIKeyYVHXTQQJFAOBCJ-HNNXBMFYSA-M
XLogP2.93
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-hydroxyethyl)piperidine-1-carboxylate
CID 63310302
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate
CID 72747808
(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-[1-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidin-2-yl]acetic acid
CID 178193079
1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate
CID 170993544
(1R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 86309425
2-[9H-fluoren-9-ylmethoxycarbonyl-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)methyl]amino]acetic acid
CID 131676775

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate?
The IUPAC name of 2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate (CID 86295162) is 2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for 2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate?
The canonical SMILES for 2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate is O=C([O-])C[C@@H]1CCCCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate?
The InChIKey is YVHXTQQJFAOBCJ-HNNXBMFYSA-M. The full InChI is InChI=1S/C22H23NO4/c24-21(25)13-15-7-5-6-12-23(15)22(26)27-14-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-4,8-11,15,20H,5-7,12-14H2,(H,24,25)/p-1/t15-/m0/s1.
What are the key properties of 2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate?
2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate has a molecular weight of 364.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 86295162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).