N-Cbz-4-(hydroxymethyl)piperidine - CAS 122860-33-7
Catalog: |
BB005542 |
Product Name: |
N-Cbz-4-(hydroxymethyl)piperidine |
CAS: |
122860-33-7 |
Synonyms: |
4-(hydroxymethyl)-1-piperidinecarboxylic acid (phenylmethyl) ester; benzyl 4-(hydroxymethyl)piperidine-1-carboxylate |
IUPAC Name: | benzyl 4-(hydroxymethyl)piperidine-1-carboxylate |
Description: | N-Cbz-4-(hydroxymethyl)piperidine (CAS# 122860-33-7) is an intermediate used in the synthesis of benzoyloxyethylpiperidinylmethylamine as fluorescent antagonists for human 5-HT4 receptors. It is also used to prepare diaminobutane derivatives as potent Ca2+-Permeable AMPA receptor antagonists. |
Molecular Weight: | 249.31 |
Molecular Formula: | C14H19NO3 |
Canonical SMILES: | C1CN(CCC1CO)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C14H19NO3/c16-10-12-6-8-15(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12,16H,6-11H2 |
InChI Key: | LINIORCIRVAZSM-UHFFFAOYSA-N |
Boiling Point: | 396.4 °C at 760 mmHg |
Density: | 1.162 g/cm3 |
MDL: | MFCD02094490 |
LogP: | 1.96540 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.13649347 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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