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477856-45-4 | methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate
CAS No: 477856-45-4 Catalog No: AG00IPPU MDL No:MFCD02082486
Product Description
Catalog Number:
AG00IPPU
Chemical Name:
methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate
CAS Number:
477856-45-4
Molecular Formula:
C15H21NO2
Molecular Weight:
247.3327
MDL Number:
MFCD02082486
IUPAC Name:
methyl 1-[(4-methylphenyl)methyl]piperidine-4-carboxylate
InChI:
InChI=1S/C15H21NO2/c1-12-3-5-13(6-4-12)11-16-9-7-14(8-10-16)15(17)18-2/h3-6,14H,7-11H2,1-2H3
InChI Key:
TVVZEZHHMNLUML-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN(CC1)Cc1ccc(cc1)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.157g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.338g/mol
Monoisotopic Mass:
247.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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