N-Cbz-3-piperidinemethanol - CAS 39945-51-2
Catalog: |
BB024213 |
Product Name: |
N-Cbz-3-piperidinemethanol |
CAS: |
39945-51-2 |
Synonyms: |
3-(hydroxymethyl)-1-piperidinecarboxylic acid (phenylmethyl) ester; benzyl 3-(hydroxymethyl)piperidine-1-carboxylate |
IUPAC Name: | benzyl 3-(hydroxymethyl)piperidine-1-carboxylate |
Description: | N-Cbz-3-piperidinemethanol (CAS# 39945-51-2) is an intermediate used in the synthesis of disubstituted pyrimidines as Lck inhibitors. |
Molecular Weight: | 249.31 |
Molecular Formula: | C14H19NO3 |
Canonical SMILES: | C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)CO |
InChI: | InChI=1S/C14H19NO3/c16-10-13-7-4-8-15(9-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2 |
InChI Key: | XLWOOUZKMJBINO-UHFFFAOYSA-N |
Boiling Point: | 396.4 °C at 760 mmHg |
Density: | 1.162 g/cm3 |
Appearance: | Solid |
MDL: | MFCD03407298 |
LogP: | 1.96540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021077010-A1 | Bifunctional molecules containing an e3 ubiquitine ligase binding moiety linked to a bcl6 targeting moiety | 20191017 |
US-2019160176-A1 | Targeted nucleic acid conjugate compositions | 20160411 |
US-10259800-B2 | Method of fluorination using iodonium ylides | 20151029 |
US-2017121300-A1 | Method of fluorination using iodonium ylides | 20151029 |
EP-3083594-A1 | Substituted bipiperidinyl derivatives as adrenoreceptor alpha 2c antagonists | 20131219 |
Complexity: | 264 |
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 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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