Piperidin-4-yl [1,1'-Biphenyl]-2-ylcarbamate - CAS 171722-92-2
Catalog: |
BB012765 |
Product Name: |
Piperidin-4-yl [1,1'-Biphenyl]-2-ylcarbamate |
CAS: |
171722-92-2 |
Synonyms: |
N-(2-phenylphenyl)carbamic acid 4-piperidinyl ester; piperidin-4-yl N-(2-phenylphenyl)carbamate |
IUPAC Name: | piperidin-4-yl N-(2-phenylphenyl)carbamate |
Description: | Piperidin-4-yl [1,1'-Biphenyl]-2-ylcarbamate (CAS# 171722-92-2 ) is a useful research chemical. |
Molecular Weight: | 296.36 |
Molecular Formula: | C18H20N2O2 |
Canonical SMILES: | C1CNCCC1OC(=O)NC2=CC=CC=C2C3=CC=CC=C3 |
InChI: | InChI=1S/C18H20N2O2/c21-18(22-15-10-12-19-13-11-15)20-17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-9,15,19H,10-13H2,(H,20,21) |
InChI Key: | AGZCCVMWUZINGV-UHFFFAOYSA-N |
Boiling Point: | 427.053 °C at 760 mmHg |
Density: | 1.193 g/cm3 |
LogP: | 3.99650 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113121416-A | Preparation method of lefenacin | 20210512 |
CN-113121412-A | Preparation method of lefenacin intermediate | 20210420 |
CN-112830890-A | Preparation method of lefenacin intermediate and lefenacin | 20201203 |
WO-2017107877-A1 | Biphenyl derivative and preparation method and medical use thereof | 20151225 |
WO-2017054702-A1 | Biphenyl derivative and preparation method and use thereof in medicine | 20150928 |
PMID | Publication Date | Title | Journal |
21310610 | 20110301 | Discovery of muscarinic acetylcholine receptor antagonist and beta 2 adrenoceptor agonist (MABA) dual pharmacology molecules | Bioorganic & medicinal chemistry letters |
Complexity: | 349 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.152477885 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.152477885 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 50.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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