9H-fluoren-9-ylmethyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate

C26H26N2O2 — CID 154574606

IUPAC9H-fluoren-9-ylmethyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate
SMILESC[C@H]1CN[C@H](c2ccccc2)CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N2O2/c1-18-15-27-25(19-9-3-2-4-10-19)16-28(18)26(29)30-17-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24/h2-14,18,24-25,27H,15-17H2,1H3/t18-,25-/m0/s1
InChIKeyHHNLRJKCAOSBBZ-BVZFJXPGSA-N
MW398.51 g/mol
LogP4.97
Rot. Bonds3

About 9H-fluoren-9-ylmethyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate

9H-fluoren-9-ylmethyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate (PubChem CID 154574606) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate
PubChem CID154574606
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name9H-fluoren-9-ylmethyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate
SMILESC[C@H]1CN[C@H](c2ccccc2)CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N2O2/c1-18-15-27-25(19-9-3-2-4-10-19)16-28(18)26(29)30-17-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24/h2-14,18,24-25,27H,15-17H2,1H3/t18-,25-/m0/s1
InChIKeyHHNLRJKCAOSBBZ-BVZFJXPGSA-N
XLogP4.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl (2S,4R)-2,4-dimethylpyrrolidine-1-carboxylate
CID 58682773
9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate
CID 154574605
2-[(2R,5R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-5-methylmorpholin-2-yl]acetic acid
CID 170914115
(2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 11609991
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 91026367
9H-fluoren-9-ylmethyl (2S,4R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 10830778
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S)-aziridine-1,2-dicarboxylate
CID 146517519
(2R,3S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydroxypyrrolidine-2-carboxylic acid
CID 154853066
2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 141413081
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylazetidine-2-carboxylic acid
CID 154704783
ethyl 3-[(3R,6R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-6-methylpiperidin-3-yl]-1,2,4-thiadiazole-5-carboxylate
CID 121314653
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-hydroxypiperidine-2-carboxylic acid
CID 90456877

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate (CID 154574606) is 9H-fluoren-9-ylmethyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate is C[C@H]1CN[C@H](c2ccccc2)CN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate?
The InChIKey is HHNLRJKCAOSBBZ-BVZFJXPGSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-18-15-27-25(19-9-3-2-4-10-19)16-28(18)26(29)30-17-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24/h2-14,18,24-25,27H,15-17H2,1H3/t18-,25-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate?
9H-fluoren-9-ylmethyl (2S,5R)-2-methyl-5-phenylpiperazine-1-carboxylate has a molecular weight of 398.51 g/mol, XLogP of 4.97, 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,5R)-2-methyl-5-phenylpiperazine-1-carboxylate is sourced from PubChem (CID 154574606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).