(S)-1-Cbz-4-isopropyl-3-methylpiperazine - CAS 799557-82-7
Catalog: |
BB036435 |
Product Name: |
(S)-1-Cbz-4-isopropyl-3-methylpiperazine |
CAS: |
799557-82-7 |
Synonyms: |
3-methyl-4-propan-2-yl-1-piperazinecarboxylic acid (phenylmethyl) ester; benzyl 3-methyl-4-propan-2-ylpiperazine-1-carboxylate |
IUPAC Name: | benzyl (3S)-3-methyl-4-propan-2-ylpiperazine-1-carboxylate |
Description: | (S)-1-Cbz-4-isopropyl-3-methylpiperazine (CAS# 799557-82-7 ) is a useful research chemical. |
Molecular Weight: | 276.37 |
Molecular Formula: | C16H24N2O2 |
Canonical SMILES: | CC1CN(CCN1C(C)C)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C16H24N2O2/c1-13(2)18-10-9-17(11-14(18)3)16(19)20-12-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3 |
InChI Key: | PMFKRDLLBFADKC-UHFFFAOYSA-N |
LogP: | 2.61350 |
Publication Number | Title | Priority Date |
DE-602005005080-T2 | Pyrrolidine derivatives as histamine receptor ligands | 20041015 |
EP-1802307-A1 | Pyrrolidine derivatives as histamine receptors ligands | 20041015 |
EP-1802307-B1 | Pyrrolidine derivatives as histamine receptors ligands | 20041015 |
ES-2303280-T3 | PIRROLIDINE DERIVATIVES AS LEGANDS OF HISTAMINE RECEPTORS. | 20041015 |
JP-2008516922-A | Pyrrolidine derivatives as histamine receptor ligands | 20041015 |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.183778013 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.183778013 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 32.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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