1-Benzyl-5-methyl-3-piperidinone - CAS 1290047-51-6
Catalog: |
BB006962 |
Product Name: |
1-Benzyl-5-methyl-3-piperidinone |
CAS: |
1290047-51-6 |
Synonyms: |
5-methyl-1-(phenylmethyl)-3-piperidinone; 1-benzyl-5-methylpiperidin-3-one |
IUPAC Name: | 1-benzyl-5-methylpiperidin-3-one |
Description: | 1-Benzyl-5-methyl-3-piperidinone (CAS# 1290047-51-6) is used in the preparation of diazepanone which is used as chemokine receptor antagonists for treatment of inflammatory diseases. |
Molecular Weight: | 203.28 |
Molecular Formula: | C13H17NO |
Canonical SMILES: | CC1CC(=O)CN(C1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C13H17NO/c1-11-7-13(15)10-14(8-11)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3 |
InChI Key: | LQHLLGBMPQNQLJ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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-2021052892-A1 | Piperidinyl amine compounds for the treatment of autoimmune disease | 20190916 |
BR-112020014177-A2 | NITROGENATED HETEROCYCLIC AMIDE COMPOUND AND USE OF THE SAME FOR MEDICAL PURPOSES | 20180201 |
EP-3497094-A1 | Tlr7/8 antagonists and uses thereof | 20160808 |
JP-2019527718-A | TLR7 / 8 antagonists and their use | 20160808 |
US-2018037570-A1 | Tlr7/8 antagonists and uses thereof | 20160808 |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.131014166 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Piperidones
Customers Also Viewed
-
[119-24-4]
Folic Acid EP Impurity D (Methotrexate EP Impurity D)
-
[132182-92-4]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-
-
[79551-14-7]
Ferene Disodium Salt
-
[70406-92-7]
N-(6-Amino-2,3-dichlorobenzyl)glycine ethyl ester
-
[1808-26-0]
Ethyl arachidonate
-
[891016-02-7]
ML-SI3
INDUSTRY LEADERS TRUST OUR PRODUCTS