N-Benzyloxycarbonyl-4-(4-chlorophenyl)-4-piperidinol - CAS 1076199-00-2
Catalog: |
BB073592 |
Product Name: |
N-Benzyloxycarbonyl-4-(4-chlorophenyl)-4-piperidinol |
CAS: |
1076199-00-2 |
Synonyms: |
BENZYL 4-(4-CHLOROPHENYL)-4-HYDROXYPIPERIDINE-1-CARBOXYLATE; N-Benzyloxycarbonyl-4-(4-chlorophenyl)-4-piperidinol; 1-N-CBZ-4-(4-CHLOROPHENYL)-4-HYDROXYPIPERIDINE |
IUPAC Name: | benzyl 4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxylate |
Molecular Weight: | 345.82 |
Molecular Formula: | C19H20ClNO3 |
Canonical SMILES: | C1CN(CCC1(C2=CC=C(C=C2)Cl)O)C(=O)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C19H20ClNO3/c20-17-8-6-16(7-9-17)19(23)10-12-21(13-11-19)18(22)24-14-15-4-2-1-3-5-15/h1-9,23H,10-14H2 |
InChI Key: | OACLBBGOZRXENL-UHFFFAOYSA-N |
Melting Point: | 95-98°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White Solid |
Storage: | 4°C |
Complexity: | 409 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 345.1131712 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 345.1131712 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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